SCHEMBL6164825

SCHEMBL6164825

CC1CC(=O)c2c(C(C)(C)C)nn(-c3ccc(Cl)nn3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 2/20 0.36
CSNK2A2 P19784 2/20 0.33
CSNK2B P67870 2/20 0.33
CSNK2A1 P68400 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL6166346 0.85 CCNA2 (0.39) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6166892 0.84 CCNA2 (0.53) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6162980 0.81 CCNA2 (0.40) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6168412 0.81 CCNA2 (0.40) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6167013 0.81 CCNA2 (0.42) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6166364 0.81 CCNA2 (0.39) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6163506 0.80 CCNA2 (0.35) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6167600 0.80 CCNA2 (0.41) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6167734 0.79 OPRM1 (0.49) CCNA2CDK2
SCHEMBL6164726 0.78 CCNA2 (0.47) CCNA2CDK2SMN1; SMN2RAB9AKMT2A

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 4 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
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