SCHEMBL18798564

SCHEMBL18798564

Cn1nc(C(=O)OCCO)c2c1-c1nc(Nc3ccccc3)ncc1CC2

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.83
CCNA2 P20248 18/20 0.83
CCNA1 P78396 15/20 0.83
CDK4 P11802 6/20 0.83
CCND3 P30281 6/20 0.83
CDK6 Q00534 6/20 0.83
AURKA O14965 11/20 0.75
PLK1 P53350 9/20 0.75
TTK P33981 3/20 0.75
PLK3 Q9H4B4 1/20 0.75
PLK2 Q9NYY3 1/20 0.75

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
SCHEMBL4154687 0.91 CDK2 (1.00) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL18798566 0.86 CDK2 (0.78) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL4154945 0.85 CDK2 (1.00) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL4162875 0.84 CDK2 (1.00) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL4160066 0.83 CDK2 (0.82) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL4171065 0.83 CDK2 (1.00) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL4169086 0.83 CDK2 (0.85) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL4152035 0.83 CDK2 (1.00) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL4164558 0.83 CDK2 (0.84) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL4157095 0.83 CDK2 (0.84) 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
US-9637497-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors Nerviano Medical Sciences, S.R.L. (IT) 2017-05-02 US disclosed
US-9637497-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors Nerviano Medical Sciences, S.R.L. (IT) 2017-05-02 US disclosed