SCHEMBL6594548

SCHEMBL6594548

c1ccc2c(c1)ccn2-c1c[nH]nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.47
CDK2 P24941 1/20 0.47
ROCK1 Q13464 1/20 0.47
PRKD3 O94806 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
PRKCA P17252 1/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
PRKCH P24723 1/20 0.45
PRKCI P41743 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCZ Q05513 1/20 0.45
PRKCD Q05655 1/20 0.45
PRKD1 Q15139 1/20 0.45
BIRC5 O15392 1/20 0.42
MAPT P10636 3/20 0.39
MKNK1 Q9BUB5 4/20 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
SCHEMBL1840156 0.74 CDC7 (0.49) CDC7CDK2ROCK1PRKD3PRKCG
SCHEMBL3148726 0.71 POLB (0.56) ROCK1MAPTMKNK1MKNK2ALDH1A1
SCHEMBL18797697 0.71 MKNK1 (0.38) CDK2MKNK1MKNK2MAPK8MAPK9
SCHEMBL27322596 0.69 CDC7 (0.56) CDC7CDK2ROCK1PRKD3PRKCG
SCHEMBL13483673 0.69 CDC7 (0.51) CDC7CDK2ROCK1PRKD3PRKCG
SCHEMBL31107087 0.69 CDC7 (0.60) CDC7CDK2ROCK1PRKD3PRKCG
SCHEMBL524138 0.69 CDC7 (0.60) CDC7CDK2ROCK1PRKD3PRKCG
SCHEMBL29388549 0.69 CDC7 (0.60) CDC7CDK2ROCK1PRKD3PRKCG
SCHEMBL13052919 0.69 BIRC5 (0.59) CDC7CDK2ROCK1PRKD3PRKCG
SCHEMBL2186020 0.68 CDC7 (0.54) CDC7CDK2ROCK1PRKD3PRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183252-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2004-02-18 EP disclosed
CN-1053660-C Process for preparing indole derivatives containing 1,2,4-triazol-1-yl substituents MERCK SHARP & DOHME (GB) 2000-06-21 CN disclosed
CN-1037843-C Process for preparing indole derivatives containing 1,2, 4-triazol-1-yl substituents MERCK SHARP & DOHME (GB) 1998-03-25 CN disclosed
US-5717104-A Process for preparing indole derivatives containing a 1,2,4-triazol-1-yl substituent MERCK, SHARP & DOHME, LTD. (GB) 1998-02-10 US disclosed
CN-1166486-A Process for preparing indole derivatives containing 1,2,4-triazol-1-yl substituents MERCK SHARP & DOHME (GB) 1997-12-03 CN disclosed
EP-0651748-B1 PROCESS FOR PREPARING INDOLE DERIVATIVES CONTAINING A 1,2,4-TRIAZOL-1-YL SUBSTITUENT MERCK SHARP & DOHME (GB) 1997-10-08 EP disclosed
US-5567819-A Process for preparing indole derivatives containing a 1,2,4-triazol-1-yl substituent MERCK, SHARP & DOHME, LTD. (GB) 1996-10-22 US disclosed
EP-0651748-A1 PROCESS FOR PREPARING INDOLE DERIVATIVES CONTAINING A 1,2,4-TRIAZOL-1-YL SUBSTITUENT. MERCK SHARP & DOHME (GB) 1995-05-10 EP disclosed
WO-1994002476-A1 PROCESS FOR PREPARING INDOLE DERIVATIVES CONTAINING A 1,2,4-TRIAZOL-1-YL SUBSTITUENT MERCK SHARP & DOHME LIMITED (GB) 1994-02-03 WO disclosed