SCHEMBL6167029

SCHEMBL6167029

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.39
CSNK2B P67870 3/20 0.39
CSNK2A1 P68400 3/20 0.39
ABCG2 Q9UNQ0 3/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
BUB1 O43683 1/20 0.33
PDE4B Q07343 3/20 0.32
PDE5A O76074 2/20 0.32
PDE3A Q14432 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6166482 0.83 DHODH (0.36)
SCHEMBL6164263 0.80 HTT (0.41) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6166292 0.78 HTT (0.36) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6166965 0.77 ABCG2 (0.36) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL21663039 0.76 PDE4B (0.31) PDE4BPDE5A
SCHEMBL6164455 0.76 ABCG2 (0.47) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6769518 0.75 L3MBTL1 (0.49) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6166081 0.74 BRD4 (0.34) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6770603 0.74 CSNK2A2 (0.40) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6166619 0.73 HTT (0.42) CSNK2A2CSNK2BCSNK2A1ABCG2BUB1

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