SCHEMBL15095331

SCHEMBL15095331

CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cccs3)n[nH]c2C12CC2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 13/20 0.57
CDK2 P24941 13/20 0.57
CCNA1 P78396 13/20 0.57
PRKCB P05771 3/20 0.52
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNE1 P24864 1/20 0.50
GSK3B P49841 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AURKA O14965 1/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL15095846 0.81 CCNA2 (0.66) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL15095338 0.81 CCNA2 (0.66) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL13906188 0.80 CDK2 (0.80) CCNA2CDK2CCNA1PRKCBCDK1
SCHEMBL15095335 0.80 CDK2 (0.55) CCNA2CDK2CCNA1PRKCBCDK1
SCHEMBL15095339 0.79 CCNA2 (0.66) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL15095332 0.78 CCNA2 (0.80) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL15095334 0.77 CCNA2 (0.60) CCNA2CDK2CCNA1PRKCBCDK1
SCHEMBL15095344 0.76 CCNA2 (0.57) CCNA2CDK2CCNA1PRKCBCDK1
SCHEMBL15095342 0.76 CCNA2 (0.70) CCNA2CDK2CCNA1PRKCBCDK1
SCHEMBL15095341 0.74 CDK2 (0.49) CCNA2CDK2CCNA1PRKCBCDK1

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