SCHEMBL7017150

SCHEMBL7017150

O=C1NCCN1c1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.58
BCHE P06276 2/20 0.55
ACHE P22303 2/20 0.55
TP53 P04637 2/20 0.53
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.51
AURKA O14965 1/20 0.51
TRPC3 Q13507 1/20 0.50
ALKBH3 Q96Q83 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HRH4 Q9H3N8 1/20 0.48
PLAUR Q03405 1/20 0.47
NPC1 O15118 2/20 0.47
PAX8 Q06710 2/20 0.47
NPY5R Q15761 2/20 0.46
ADRA1A P35348 1/20 0.46
KCNH2 Q12809 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALPL P05186 1/20 0.46

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
SCHEMBL27547390 0.78 BCHE (0.56) HTR3ABCHEACHETP53RAB9A
SCHEMBL9407612 0.77 TP53 (0.56) HTR3ABCHEACHETP53RAB9A
SCHEMBL27841014 0.77 BCHE (0.51) HTR3ABCHEACHETP53RAB9A
SCHEMBL17764208 0.76 AURKA (0.50) HTR3ABCHEACHETP53RAB9A
SCHEMBL21047636 0.74 BCHE (0.69) HTR3ABCHEACHETP53RAB9A
SCHEMBL531762 0.73 HTR3A (1.00) HTR3ABCHEACHETP53RAB9A
SCHEMBL20472708 0.73 BCHE (0.54) HTR3ABCHEACHETP53RAB9A
SCHEMBL2674037 0.73 BCHE (0.90) HTR3ABCHEACHETP53RAB9A
SCHEMBL2676103 0.73 BCHE (0.96) HTR3ABCHEACHETP53RAB9A
SCHEMBL21047796 0.72 BCHE (0.60) HTR3ABCHEACHETP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 US disclosed
EP-1194152-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-11-06 EP disclosed
EP-1206260-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-10-30 EP disclosed
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
EP-1206260-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
EP-1194152-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-04-10 EP disclosed
US-6329380-B1 PYRIMIDINE BENZIMIDIZAZOLE, PYRIMIDINEIMIDAZOLE OR PYRIDINE IMIDAZOLE COMPOUNDS FOR ANTICANCER AGENTS OR ATHEROSCLEROSIS MERCK & CO., INC. 2001-12-11 US disclosed
US-6316444-B1 SRC kinase inhibitor compounds MERCK & CO., INC. 2001-11-13 US disclosed
WO-2001000207-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed
WO-2001000214-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed