SCHEMBL7464681

SCHEMBL7464681

NS(=O)(=O)c1cccc(Nc2nccc(-c3ccccn3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 13/20 0.61
CCNT1 O60563 8/20 0.61
CCNB1 P14635 8/20 0.61
CDK9 P50750 8/20 0.61
ABL1 P00519 1/20 0.61
BCR P11274 1/20 0.61
PRKCA P17252 1/20 0.61
CDK2 P24941 8/20 0.61
CCNA2 P20248 4/20 0.61
CDK7 P50613 4/20 0.61
CCNH P51946 4/20 0.61
CCNA1 P78396 4/20 0.61
IKBKB O14920 2/20 0.60
MTOR P42345 6/20 0.60
SMG1 Q96Q15 5/20 0.60
SLC2A1 P11166 1/20 0.60
PIK3CA P42336 1/20 0.57
PIK3CG P48736 1/20 0.57
SYK P43405 1/20 0.56

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
SCHEMBL7469285 0.86 IKBKB (0.74) CDK1CCNT1CCNB1CDK9CDK2
SCHEMBL7524252 0.83 CDK1 (0.69) CDK1CCNT1CCNB1CDK9ABL1
SCHEMBL30557958 0.83 ROCK1 (0.61) CDK1CCNT1CCNB1CDK9CDK2
SCHEMBL7471938 0.82 ABL1 (0.70) CDK1CCNT1CCNB1CDK9ABL1
SCHEMBL3520990 0.81 CDK1 (0.66) CDK1CCNT1CCNB1CDK9CDK2
SCHEMBL6752979 0.81 CAMK2D (0.67) CDK1CCNT1CCNB1CDK9ABL1
SCHEMBL4903508 0.81 ABL1 (0.67) ABL1BCRPRKCACDK2SYK
SCHEMBL6752978 0.81 CDK1 (0.66) CDK1CCNT1CCNB1CDK9ABL1
SCHEMBL3518683 0.80 IKBKB (0.66) CDK1CCNT1CCNB1CDK9ABL1
SCHEMBL4153552 0.80 SYK (0.67) CDK1CCNT1CCNB1CDK9CDK2

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
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed