SCHEMBL606773

SCHEMBL606773

[c]1ccnc(-c2ccncc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
NOTUM Q6P988 1/20 0.41
CYP19A1 P11511 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
AR P10275 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FYN P06241 4/20 0.37
CHEK1 O14757 1/20 0.37
GSK3B P49841 1/20 0.37
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL231750 0.84 ASIC3 (0.45) LMNAMAPTNOTUMNPC1RAB9A
SCHEMBL4590373 0.79 L3MBTL1 (0.42) LMNAMAPTNOTUMCYP19A1NPC1
SCHEMBL4591123 0.79 RAB9A (0.40) MAPTNPC1RAB9AARFYN
SCHEMBL5534502 0.79 KMT2A (0.40) LMNAMAPTNOTUMNPC1RAB9A
SCHEMBL4599566 0.79 RAB9A (0.40) LMNAMAPTNPC1RAB9AKDM4E
SCHEMBL9699617 0.79 MAPT (0.47) MAPTCYP19A1NPC1RAB9AAR
SCHEMBL2184027 0.79 KIF11 (0.47) GSK3BKDM4EKMT2AL3MBTL1
SCHEMBL1450328 0.78 KDM4E (0.36) LMNANPC1RAB9ACYP1A2KDM4E
SCHEMBL320237 0.78 CYP2A6 (0.58) LMNAMAPTCYP19A1CYP1A2CYP3A4
SCHEMBL1201977 0.76 CYP11B2 (0.44) GSK3BCYP11B1CYP11B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5173489-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1992-12-22 US claimed
EP-3781557-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER 4SC AG (DE) 2021-02-24 EP disclosed
EP-3773554-A1 COMBINATION COMPRISING HDAC INHIBITOR AND CD137 AGONIST FOR CANCER THERAPY 4SC AG (DE) 2021-02-17 EP disclosed
WO-2019200238-A1 COMBINATIONS INCLUDING A CPG-C TYPE OLIGONUCLEOTIDE AND A HISTONE DEACETYLASE INHIBITOR FOR TREATING CANCER DYNAVAX TECHNOLOGIES CORPORATION (US) 2019-10-17 WO disclosed
WO-2019197682-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER 4SC AG (DE) 2019-10-17 WO disclosed
WO-2019185598-A1 COMBINATION COMPRISING HDAC INHIBITOR AND CD137 AGONIST FOR CANCER THERAPY 4SC AG (DE) 2019-10-03 WO disclosed
US-9586945-B2 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-07 US disclosed
US-9550754-B2 4,5-dihydropyrazole derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2017-01-24 US disclosed
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
US-9365512-B2 Isoindoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-06-14 US disclosed
US-5318984-A Anticholesterol agents which inhibit acetyl coenzyme A transferase THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-06-07 US disclosed
EP-0264198-B1 OPTICAL INFORMATION RECORDING MEDIUM CANON KABUSHIKI KAISHA (JP) 1993-03-03 EP disclosed
US-5190956-A Certain N-substituted 3-oximino-2,4-dioxoquinolin-2,4-(1H)diones useful for treating viral infections SCHERING CORPORATION (US) 1993-03-02 US disclosed
US-5179107-A Herpes SCHERING CORPORATION (US) 1993-01-12 US disclosed
US-5178995-A Reflectance, storage stability CANON KABUSHIKI KAISHA (JP) 1993-01-12 US disclosed
US-5166214-A Enzyme inhibitors for anticholesterol agents, enzyme inhibitor and cardiovascular disorders DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-11-24 US disclosed
US-5145849-A Inotropic and antiarrythmia agents; sodium channel inhibitors BEIERSDORF AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed
US-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US disclosed
EP-0264198-A2 Optical information recording medium CANON KABUSHIKI KAISHA (JP) 1988-04-20 EP disclosed
CN-86108538-A The inhibition of 5-lipoxygenase pathway 1987-07-29 CN disclosed