SCHEMBL6164263

SCHEMBL6164263

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
CSNK2A2 P19784 3/20 0.34
CSNK2B P67870 3/20 0.34
CSNK2A1 P68400 3/20 0.34
ABCG2 Q9UNQ0 3/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
BUB1 O43683 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
SCHEMBL6163627 0.85 HTT (0.40) HTT
SCHEMBL6166699 0.82 HTT (0.61) HTTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6167888 0.82 HTT (0.39) HTTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6167029 0.80 CSNK2A2 (0.39) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6166391 0.80 HTT (0.42) HTTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6165102 0.78 HTT (0.41) HTTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6164656 0.78 HTT (0.68) HTTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6163497 0.77 HTT (0.40) HTTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6163859 0.76 HTT (0.35) HTTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6164718 0.76 HTT (0.41) HTTBUB1

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 2 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