SCHEMBL6164586

SCHEMBL6164586

Cc1nn(-c2ccccn2)c2c1/C(=N/O)CC(C)(C)C2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.70
TSHR P16473 1/20 0.70
CCNA2 P20248 9/20 0.63
CDK2 P24941 9/20 0.63
CCNO P22674 1/20 0.47
CCNE1 P24864 1/20 0.47
CCNA1 P78396 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6164588 1.00 LMNA (0.70) LMNATSHRCCNA2CDK2CCNO
SCHEMBL6162861 0.81 OPRM1 (0.65) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6165107 0.77 CCNA2 (1.00) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6165103 0.77 CCNA2 (1.00) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6165339 0.73 CCNA2 (0.70) LMNATSHRCCNA2CDK2CCNO
SCHEMBL6165336 0.73 CCNA2 (0.70) LMNATSHRCCNA2CDK2CCNO
SCHEMBL6165456 0.72 OPRM1 (0.57) LMNATSHRCCNA2CDK2CCNO
SCHEMBL6167069 0.69 CCNA2 (0.47) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6164595 0.69 CCNA2 (0.47) CCNA2CDK2CCNOCCNE1CCNA1
SCHEMBL6167042 0.68 CCNA2 (0.49) LMNACCNA2CDK2CCNOCCNE1

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-1177185-B1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-04-20 EP claimed
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 claimed
JP-2002544271-A 2002-12-24 JP claimed
EP-1177185-A1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2002-02-06 EP claimed
WO-2000069846-A1 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-23 WO claimed
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