SCHEMBL6168412

SCHEMBL6168412

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CSNK2A2 P19784 3/20 0.38
CSNK2B P67870 3/20 0.38
CSNK2A1 P68400 3/20 0.38
ABCG2 Q9UNQ0 3/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 2/20 0.36
PDE5A O76074 1/20 0.36
PDE4B Q07343 1/20 0.36
PANK3 Q9H999 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 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
SCHEMBL6165262 0.87 CCNA2 (0.40) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6166892 0.84 CCNA2 (0.53) CCNA2CDK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6166364 0.83 CCNA2 (0.39) CCNA2CDK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6162980 0.81 CCNA2 (0.40) CCNA2CDK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6164825 0.81 CCNA2 (0.40) CCNA2CDK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6163291 0.81 CCNA2 (0.42) CCNA2CDK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6167600 0.80 CCNA2 (0.41) CCNA2CDK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6166153 0.79 CCNA2 (0.47) CCNA2CDK2
SCHEMBL6163506 0.78 CCNA2 (0.35) CCNA2CDK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6769518 0.78 L3MBTL1 (0.49) 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 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