SCHEMBL6166965

SCHEMBL6166965

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.36
CSNK2A2 P19784 3/20 0.36
CSNK2B P67870 3/20 0.36
CSNK2A1 P68400 3/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
BUB1 O43683 1/20 0.32

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
SCHEMBL6164331 0.84 DHODH (0.34)
SCHEMBL6168175 0.84 CSNK2A2 (0.33) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6167888 0.82 HTT (0.39) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6166641 0.81 ALPL (0.40) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6167029 0.77 CSNK2A2 (0.39) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6770545 0.76 ABCG2 (0.38) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6167293 0.76 HTT (0.42) ABCG2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6166292 0.74 HTT (0.36) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6165077 0.74 CCNA2 (0.45) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6163402 0.73 ALPL (0.45)

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