SCHEMBL6166292

SCHEMBL6166292

Cc1nn(C)c2c1C(=O)CC(C)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
CSNK2A2 P19784 3/20 0.35
CSNK2B P67870 3/20 0.35
CSNK2A1 P68400 3/20 0.35
ABCG2 Q9UNQ0 3/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
ALDH1A1 P00352 5/20 0.35
TSHR P16473 3/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
BUB1 O43683 1/20 0.35
MAPK1 P28482 3/20 0.32
LMNA P02545 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CDK8 P49336 1/20 0.32
ACVR1 Q04771 1/20 0.32
KMT2A Q03164 1/20 0.31
CHRM1 P11229 1/20 0.30

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
SCHEMBL7482800 0.85 ABCG2 (0.36) HTTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6166081 0.78 BRD4 (0.34) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6164973 0.78 DHODH (0.36) HTTBUB1
SCHEMBL6167029 0.78 CSNK2A2 (0.39) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6166699 0.78 HTT (0.61) HTTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6166641 0.76 ALPL (0.40) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6166965 0.74 ABCG2 (0.36) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6167870 0.73 ALDH1A1 (0.49) HTTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6771250 0.71 OPRM1 (0.45) HTTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6164696 0.70 HTT (0.61) HTTCSNK2A1ALDH1A1TSHRMAPT

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