SCHEMBL6997571

SCHEMBL6997571

CC(CCCc1ccccc1)n1ncc(C#N)c1N

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
CYP19A1 P11511 1/20 0.37
KMT2A Q03164 2/20 0.37
FAAH O00519 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
POLB P06746 1/20 0.35
NAAA Q02083 1/20 0.35
MEN1 O00255 1/20 0.35
XDH P47989 1/20 0.34
KDM5A P29375 1/20 0.34
IKBKB O14920 1/20 0.34

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
SCHEMBL6998949 0.86 FAAH (0.38) ALDH1A1GAACYP19A1KMT2AFAAH
SCHEMBL7378633 0.82 TSHR (0.49) TSHRMAOBPOLB
SCHEMBL7893458 0.77 RIPK2 (0.46) ALDH1A1KMT2AFAAHTSHRLMNA
SCHEMBL27481625 0.77 L3MBTL1 (0.34) KMT2ATSHRLMNAMAOBMEN1
SCHEMBL7381725 0.75 PDE4A (0.39)
SCHEMBL27468086 0.75 GAA (0.52) ALDH1A1GAACYP19A1KMT2AKDM4E
SCHEMBL4758468 0.74 KMT2A (0.43) ALDH1A1KMT2AKDM4EMAPTHTT
SCHEMBL6996007 0.74 PDE4A (0.41) KMT2AFAAHLMNAMEN1
SCHEMBL6992801 0.74 TSHR (0.40) ALDH1A1GAAKMT2AKDM4EMAPT
SCHEMBL2855079 0.72 PKM (0.47) ALDH1A1GAAKMT2AKDM4EMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1151155-C 1, 5-dihydro-pyrazolo [3, 4-D ] -pyrimidone derivatives 2004-05-26 CN disclosed
EP-0973774-B1 1,5-DIHYDRO-PYRAZOLO 3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AG (DE) 2003-01-22 EP disclosed
US-6174884-B1 CARDIOVASCULAR DISORDERS; CEREBROVASCULAR DISEASES; VASCULAR SYSTEM DISORDERS, ESPECIALLY THE PERIPHERAL BLOOD VESSELS; UROGENITAL DISORDERS; HYPOTENSIVE AGENTS; ANTIARRYTHMIA AND -ISCHEMIC AGENTS; PHOSPHODIESTERASE ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2001-01-16 US disclosed
CN-1255133-A 1,5-dihydro-pyrazolo [3,4-D]-pyrimidinone derivatives BAYER AG (DE) 2000-05-31 CN disclosed
EP-0973774-A1 1,5-DIHYDRO-PYRAZOLO 3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AG (DE) 2000-01-26 EP disclosed
WO-1998040384-A1 1,5-DIHYDRO-PYRAZOLO[3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-17 WO disclosed