SCHEMBL7469128

SCHEMBL7469128

c1cc(Nc2nccc(-c3cccs3)n2)cc(-n2ccnc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.67
ABL1 P00519 5/20 0.67
BCR P11274 4/20 0.67
PRKCA P17252 3/20 0.67
PDGFRB P09619 2/20 0.67
PDGFRA P16234 2/20 0.67
PRKCD Q05655 2/20 0.67
IKBKB O14920 1/20 0.52
SYK P43405 5/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CDK2 P24941 3/20 0.43
ZAP70 P43403 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EGFR P00533 1/20 0.42
ACVR1 Q04771 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
SCHEMBL7463426 0.84 ABL1 (0.80) SRCABL1BCRPRKCAPDGFRB
SCHEMBL7465915 0.81 ABL1 (0.71) SRCABL1BCRPRKCAPDGFRB
SCHEMBL6256104 0.81 ABL1 (1.00) SRCABL1BCRPRKCAPDGFRB
SCHEMBL8592858 0.80 ABL1 (0.67) SRCABL1BCRPRKCAPDGFRB
SCHEMBL8554283 0.80 ABL1 (0.69) SRCABL1BCRPRKCAPDGFRB
SCHEMBL8543865 0.78 EGFR (0.70) SRCABL1BCRPRKCAPRKCD
SCHEMBL4902560 0.78 ABL1 (0.72) SRCABL1BCRPRKCAPDGFRB
Hydrochloric Acid SCHEMBL8542078 0.77 EGFR (0.69) SRCABL1BCRPRKCAPRKCD
Hydrochloric Acid SCHEMBL8542346 0.77 EGFR (0.69) SRCABL1BCRPRKCAPRKCD
Bromide SCHEMBL8541076 0.77 EGFR (0.69) SRCABL1BCRPRKCAPRKCD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0453731-B1 Improved process for the synthesis of N-3-(1H-imidazol-1-yl)phenyl-4-(substituted)-2-pyrimidinamines AMERICAN CYANAMID CO (US) 1998-08-26 EP claimed
EP-0453731-A2 Improved process for the synthesis of N-3-(1H-imidazol-1-yl)phenyl-4-(substituted)-2-pyrimidinamines AMERICAN CYANAMID COMPANY (US) 1991-10-30 EP claimed
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed