SCHEMBL6163859

SCHEMBL6163859

CC1CC(=O)c2c(CC(C)CC(C)(C)C)nn(CCO)c2C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CSNK2A3 Q8NEV1 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL6166110 0.88 HTT (0.34) HTT
SCHEMBL6167888 0.86 HTT (0.39) HTTCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6168175 0.85 CSNK2A2 (0.33) CSNK2A2CSNK2BCSNK2A1CSNK2A3ABCG2
SCHEMBL6167101 0.82 HTT (0.56) HTT
SCHEMBL6165665 0.80 ALPL (0.39) HTT
SCHEMBL6165102 0.78 HTT (0.41) HTTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6163497 0.77 HTT (0.40) HTTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6164263 0.76 HTT (0.41) HTTCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6772625 0.74 CSNK2A2 (0.34) CSNK2A2CSNK2BCSNK2A1CSNK2A3ABCG2
SCHEMBL6166699 0.74 HTT (0.61) HTTCSNK2A2CSNK2BCSNK2A1CSNK2A3

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