SCHEMBL6770441

SCHEMBL6770441

CC1CC(=O)c2c(C(C)C)nn(-c3cccc(Cl)c3)c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.41
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 2/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
LMNA P02545 1/20 0.37
GRM5 P41594 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPK1 P28482 1/20 0.35
MDM2 Q00987 2/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6767259 0.87 SRC (0.40) SRCLMNAKMT2AMEN1ALDH1A1
SCHEMBL6164455 0.87 ABCG2 (0.47) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6775862 0.86 ABCG2 (0.39) SRCCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6777711 0.84 OPRM1 (0.45) SRCLMNAKMT2AMEN1ALDH1A1
SCHEMBL6769517 0.83 SRC (0.39) SRCCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6769518 0.83 L3MBTL1 (0.49) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6771222 0.82 OPRM1 (0.47) SRCCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6770768 0.81 SRC (0.41) SRCCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6769466 0.81 SRC (0.53) SRCLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL6770603 0.80 CSNK2A2 (0.40) 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