SCHEMBL6166892

SCHEMBL6166892

Cc1nn(-c2ccc(Cl)nn2)c2c1C(=O)CC(C)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.53
CDK2 P24941 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.38
OPRM1 P35372 7/20 0.38
CSNK2A2 P19784 2/20 0.35
CSNK2B P67870 2/20 0.35
CSNK2A1 P68400 2/20 0.35
ABCG2 Q9UNQ0 2/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6166211 0.84 CCNA2 (0.50) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6164825 0.84 CCNA2 (0.40) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6162980 0.84 CCNA2 (0.40) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6168412 0.84 CCNA2 (0.40) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6167600 0.82 CCNA2 (0.41) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6166364 0.82 CCNA2 (0.39) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6166409 0.81 OPRM1 (0.56) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6166582 0.78 OPRM1 (0.64) CCNA2CDK2KMT2AOPRM1OPRD1
SCHEMBL6163506 0.77 CCNA2 (0.35) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6164944 0.76 CCNA2 (0.62) 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 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