SCHEMBL6770768

SCHEMBL6770768

CC1CC(=O)c2c(C(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
PRKCZ Q05513 2/20 0.38
SLC5A1 P13866 1/20 0.36
GRM5 P41594 1/20 0.36
CSNK2A2 P19784 2/20 0.36
CSNK2B P67870 2/20 0.36
CSNK2A1 P68400 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
CSNK2A3 Q8NEV1 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
OPRM1 P35372 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6164677 0.87 ABCG2 (0.41) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6766708 0.86 RIPK2 (0.48) SRCKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6770539 0.85 SRC (0.39) SRCPRKCZSLC5A1KMT2AMEN1
SCHEMBL6777711 0.84 OPRM1 (0.45) SRCKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6771222 0.82 OPRM1 (0.47) SRCGRM5CSNK2A2CSNK2BCSNK2A1
SCHEMBL6770441 0.81 SRC (0.41) SRCGRM5CSNK2A2CSNK2BCSNK2A1
SCHEMBL6772487 0.81 SRC (0.53) SRCKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6769517 0.81 SRC (0.39) SRCGRM5CSNK2A2CSNK2BCSNK2A1
SCHEMBL6770294 0.80 SRC (0.36) SRCSLC5A1GRM5CSNK2A2CSNK2B
SCHEMBL6771234 0.80 CSNK2A2 (0.35) 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