SCHEMBL6165339

SCHEMBL6165339

CCOC1c2c(c(C)nn2-c2ccccn2)C(=NO)CC1(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 13/20 0.70
CDK2 P24941 13/20 0.70
CCNO P22674 2/20 0.49
CCNE1 P24864 2/20 0.49
CCNA1 P78396 2/20 0.49
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CDK5 Q00535 2/20 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
SCHEMBL6165336 1.00 CCNA2 (0.70) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6165107 0.83 CCNA2 (1.00) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6165103 0.83 CCNA2 (1.00) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6164586 0.73 LMNA (0.70) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6164588 0.73 LMNA (0.70) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6163398 0.73 CCNA2 (1.00) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6164644 0.68 CCNA2 (0.76) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6164739 0.66 CCNA2 (1.00) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6164565 0.66 CCNA2 (1.00) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6164606 0.65 HSD17B10 (0.39) CCNA2CDK2LMNATSHRALDH1A1

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