SCHEMBL6772625

SCHEMBL6772625

CC1CC(=O)c2c(CC(C)CC(C)(C)C)nn(-c3ccc(I)cc3)c2C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
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
CACNA2D1 P54289 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
SCHEMBL6163003 0.90 ABCG2 (0.40) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6771327 0.89 DHODH (0.32)
SCHEMBL6770545 0.87 ABCG2 (0.38) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6766716 0.83 HTT (0.37) CSNK2A2CSNK2BCSNK2A1ABCG2CACNA2D1
SCHEMBL6770294 0.83 SRC (0.36) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6772144 0.82 RIPK2 (0.36) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6771777 0.82 OPRM1 (0.46)
SCHEMBL6166197 0.80 CCNA2 (0.41) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6163506 0.79 CCNA2 (0.35) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6168175 0.79 CSNK2A2 (0.33) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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