SCHEMBL4552571

SCHEMBL4552571

CCOC(=O)c1nn(CC)c2c1CCc1cnc(N)nc1-2.CCOC(=O)c1nn(CCF)c2c1CCc1cnc(N)nc1-2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.51
CCNA2 P20248 13/20 0.51
CCNA1 P78396 13/20 0.51
CDK4 P11802 1/20 0.51
CCND3 P30281 1/20 0.51
CDK6 Q00534 1/20 0.51
PLK1 P53350 9/20 0.46
FLT3 P36888 2/20 0.45
PDPK1 O15530 1/20 0.42
AURKA O14965 8/20 0.41
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
MELK Q14680 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
PLK2 Q9NYY3 1/20 0.39

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
SCHEMBL3504358 0.97 CDK2 (0.53) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL3504023 0.93 CDK2 (0.54) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL3503566 0.89 CDK2 (0.54) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL4553708 0.86 CDK2 (0.48) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL3504377 0.86 CDK2 (0.53) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL1559207 0.85 CCNA2 (0.66) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL3503406 0.81 CDK2 (0.54) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL3503801 0.80 CCNA2 (0.55) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL12498641 0.79 CCNA2 (0.59) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL3504465 0.77 CDK2 (0.54) CDK2CCNA2CCNA1CDK4CCND3

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-2125822-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-12-02 EP disclosed
WO-2008074788-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-26 WO disclosed