SCHEMBL20649255

SCHEMBL20649255

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.33
CCNA2 P20248 3/20 0.33
CDK4 P11802 2/20 0.33
CCND3 P30281 2/20 0.33
CDK6 Q00534 2/20 0.33
AURKA O14965 3/20 0.31
CCNA1 P78396 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
SCHEMBL20649152 0.86 CDK4 (0.32) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL20648930 0.86 CDK4 (0.30) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL20649024 0.85 RIPK1 (0.31)
SCHEMBL20649191 0.84 CDK4 (0.31) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL20649094 0.84
SCHEMBL20649079 0.83 CCNA2 (0.34) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL20649087 0.83 CCNA2 (0.33) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL30183097 0.82 ACVR2A (0.40)
SCHEMBL20648927 0.82 ACVR2A (0.40)
SCHEMBL20649197 0.80 PDGFRB (0.41) CDK2CCNA2CDK4CCND3CDK6

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