SCHEMBL7475864

SCHEMBL7475864

NS(=O)(=O)c1ccc(Nc2nccc(-c3ccco3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.67
DKK1 O94907 2/20 0.61
GSK3B P49841 2/20 0.61
MAPK8 P45983 1/20 0.59
MAPK10 P53779 1/20 0.59
CCNT1 O60563 3/20 0.57
CDK1 P06493 3/20 0.57
CCNB1 P14635 3/20 0.57
CDK9 P50750 3/20 0.57
CDK2 P24941 4/20 0.56
IGF1R P08069 1/20 0.55
JAK2 O60674 1/20 0.55
CCNA2 P20248 1/20 0.55
CDK7 P50613 1/20 0.55
CCNH P51946 1/20 0.55
CCNA1 P78396 1/20 0.55
CDK4 P11802 1/20 0.53

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
SCHEMBL7469251 0.83 IKBKB (0.52) IKBKBMAPK8MAPK10CDK1CDK9
SCHEMBL3519939 0.81 IKBKB (1.00) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL7469678 0.80 SYK (0.56) CDK2CDK4
SCHEMBL3519764 0.80 IKBKB (0.97) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL7469285 0.80 IKBKB (0.74) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL7470673 0.79 IKBKB (0.81) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3521197 0.78 IKBKB (0.71) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL7471251 0.78 JAK2 (0.66) IKBKBJAK2
SCHEMBL7471151 0.77 PIK3CA (0.60) IKBKBCDK2CCNA2
SCHEMBL3524651 0.77 IKBKB (0.70) IKBKBDKK1GSK3BMAPK8MAPK10

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