SCHEMBL15095344

SCHEMBL15095344

COc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)C(C)(C)C)C32CC2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 13/20 0.57
CDK2 P24941 13/20 0.57
CCNA1 P78396 13/20 0.57
CDK1 P06493 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNE1 P24864 1/20 0.55
GSK3B P49841 1/20 0.55
CDK5 Q00535 1/20 0.55
CDK5R1 Q15078 1/20 0.55
PRKCB P05771 4/20 0.47
NTRK1 P04629 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL15095338 0.84 CCNA2 (0.66) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL13906188 0.84 CDK2 (0.80) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL15095846 0.83 CCNA2 (0.66) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL15095339 0.82 CCNA2 (0.66) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL15095332 0.82 CCNA2 (0.80) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL15095335 0.78 CDK2 (0.55) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL15095334 0.77 CCNA2 (0.60) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL15095331 0.76 CCNA2 (0.57) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL3485849 0.74 PRKCB (0.57) CCNA2CDK2CCNA1PRKCBNTRK1
SCHEMBL15095342 0.74 CCNA2 (0.70) CCNA2CDK2CCNA1CDK1CCNB1

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-8481585-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-07-09 US disclosed
US-8481585-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-07-09 US disclosed