SCHEMBL6770545

SCHEMBL6770545

CC(C)Cc1nn(-c2ccc(I)cc2)c2c1C(=O)CC(C)C2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.38
CSNK2A2 P19784 3/20 0.38
CSNK2B P67870 3/20 0.38
CSNK2A1 P68400 3/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL6167949 0.88 ABCG2 (0.44) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6770489 0.87 DHODH (0.35)
SCHEMBL6772625 0.87 CSNK2A2 (0.34) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6770603 0.82 CSNK2A2 (0.40) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6767118 0.81 HTT (0.40) ABCG2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6769517 0.81 SRC (0.39) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6771250 0.80 OPRM1 (0.45) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6771234 0.80 CSNK2A2 (0.35) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6771827 0.79 ABCG2 (0.37) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6769536 0.79 OPRM1 (0.51)

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 1 patent. 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