SCHEMBL20649079

SCHEMBL20649079

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)NC3NC(c4ccccc4)=CS3)c21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.34
CDK2 P24941 4/20 0.34
CDK4 P11802 3/20 0.34
CCND3 P30281 3/20 0.34
CDK6 Q00534 2/20 0.34
CCNA1 P78396 1/20 0.32
TYRO3 Q06418 1/20 0.31
DYRK1A Q13627 1/20 0.31
LMNA P02545 1/20 0.31
FGFR1 P11362 1/20 0.30
FGFR2 P21802 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
SCHEMBL20649298 0.93 BTK (0.33) CCNA2CDK2CDK4CCND3CDK6
SCHEMBL20649191 0.87 CDK4 (0.31) CCNA2CDK2CDK4CCND3CDK6
SCHEMBL20648930 0.87 CDK4 (0.30) CCNA2CDK2CDK4CCND3CDK6
SCHEMBL20649343 0.85
SCHEMBL20649094 0.85
SCHEMBL20649260 0.83
SCHEMBL20649255 0.83 CDK2 (0.33) CCNA2CDK2CDK4CCND3CDK6
SCHEMBL20649393 0.83
SCHEMBL20649087 0.82 CCNA2 (0.33) CCNA2CDK2CDK4CCND3CDK6
SCHEMBL20649152 0.78 CDK4 (0.32) CCNA2CDK2CDK4CCND3CDK6

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