SCHEMBL6167945

SCHEMBL6167945

CC(Cc1nn(-c2ccccc2)c2c1C(=O)CC(C(C)C)C2)CC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.37
BUB1 O43683 1/20 0.32
BRD4 O60885 1/20 0.31
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
KHK P50053 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CACNA1H O95180 1/20 0.30

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
SCHEMBL6771327 0.90 DHODH (0.32) DHODH
SCHEMBL6770749 0.89 SRC (0.35) DHODHALDH1A1HPGDSMN1; SMN2
SCHEMBL6163003 0.88 ABCG2 (0.40) BUB1CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6770636 0.88 RIPK2 (0.35) DHODHSMN1; SMN2
SCHEMBL6162163 0.87 DHODH (0.41) DHODHBUB1BRD4CSNK2A2CSNK2B
SCHEMBL6164260 0.86 ALDH1A1 (0.39) DHODHBUB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6163485 0.82 ALDH1A1 (0.38) CSNK2A2CSNK2BCSNK2A1ABCG2ALDH1A1
SCHEMBL6165346 0.81 ALDH1A1 (0.40) DHODHBUB1BRD4CSNK2A2CSNK2B
SCHEMBL6163771 0.81 CCNA2 (0.35) DHODHSMN1; SMN2
SCHEMBL6164978 0.81 DHODH (0.41) DHODHBUB1BRD4CSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177185-B1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-04-20 EP disclosed
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed
EP-1177185-A1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2002-02-06 EP disclosed
WO-2000069846-A1 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-23 WO disclosed