SCHEMBL15095342

SCHEMBL15095342

CC(C)(C)C(=O)N1Cc2c(NC(=O)C3CC3)n[nH]c2C12CC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 19/20 0.70
CDK2 P24941 19/20 0.70
CCNA1 P78396 19/20 0.70
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
CCNE1 P24864 2/20 0.48
GSK3B P49841 2/20 0.48
CDK5 Q00535 2/20 0.48
CDK5R1 Q15078 2/20 0.48
CCNT1 O60563 1/20 0.40
ULK1 O75385 1/20 0.40
PRKD3 O94806 1/20 0.40
PAK4 O96013 1/20 0.40
CDK4 P11802 1/20 0.40
PHKG2 P15735 1/20 0.40
ERCC2 P18074 1/20 0.40
CCND1 P24385 1/20 0.40
MAPK3 P27361 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40

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
SCHEMBL15095343 0.96 CCNA2 (0.67) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL15095335 0.86 CDK2 (0.55) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL15095341 0.80 CDK2 (0.49) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL15095338 0.78 CCNA2 (0.66) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL13906188 0.78 CDK2 (0.80) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL15095332 0.78 CCNA2 (0.80) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL15095846 0.77 CCNA2 (0.66) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL2917573 0.76 CCNA2 (0.72) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL15095331 0.76 CCNA2 (0.57) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL15095334 0.74 CCNA2 (0.60) 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