SCHEMBL6697184

SCHEMBL6697184

CCOC(=O)c1nn(C)c2c1CCc1[nH]nc(N)c1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 5/20 0.47
CDK2 P24941 5/20 0.47
CCNA1 P78396 5/20 0.47
CDK4 P11802 1/20 0.43
CCND3 P30281 1/20 0.43
CDK6 Q00534 1/20 0.43
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
MAPK10 P53779 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.34
AURKA O14965 1/20 0.34

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
SCHEMBL5225936 0.80 HTT (0.44) CCNA2CDK2CCNA1KDM4EALDH1A1
SCHEMBL5228750 0.78 CDK2 (0.59) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL5230731 0.75 CCNA2 (0.73) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL23146235 0.72 CDK2 (0.44) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL12499289 0.71 CCNA2 (0.46) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL3502504 0.71 CCNA2 (0.46) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL1559207 0.70 CCNA2 (0.66) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL10080623 0.69 CCNA2 (0.44) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL12240664 0.69 CCNA2 (0.59) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL28835657 0.69 POLB (0.47) CCNA2CDK2CCNA1KDM4EHSD17B10

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-1478357-A2 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2004-11-24 EP claimed
WO-2003070236-A2 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2003-08-28 WO claimed