SCHEMBL20649191

SCHEMBL20649191

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)NC3NC(C(=O)O)=CS3)c21

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.31
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CCND3 P30281 2/20 0.31
CDK6 Q00534 2/20 0.31

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
SCHEMBL20648930 0.90 CDK4 (0.30) CDK4CCNA2CDK2CCND3CDK6
SCHEMBL20649343 0.88
SCHEMBL20649094 0.87
SCHEMBL20649079 0.87 CCNA2 (0.34) CDK4CCNA2CDK2CCND3CDK6
SCHEMBL20649260 0.86
SCHEMBL20649393 0.86
SCHEMBL20649255 0.84 CDK2 (0.33) CDK4CCNA2CDK2CCND3CDK6
SCHEMBL20649171 0.83 CDK4 (0.32) CDK4CCNA2CDK2CCND3
SCHEMBL20649152 0.81 CDK4 (0.32) CDK4CCNA2CDK2CCND3CDK6
SCHEMBL20649137 0.80 CDK2 (0.37) CDK4CCNA2CDK2CCND3CDK6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019011715-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-01-17 WO disclosed