SCHEMBL8554283

SCHEMBL8554283

c1cc(Nc2nccc(-c3ccco3)n2)cc(-n2ccnc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.69
BCR P11274 6/20 0.69
SRC P12931 4/20 0.69
PRKCA P17252 3/20 0.69
PRKCD Q05655 3/20 0.69
PDGFRB P09619 1/20 0.69
PDGFRA P16234 1/20 0.69
IKBKB O14920 1/20 0.48
MAPK1 P28482 1/20 0.43
EGFR P00533 2/20 0.43
ACVR1 Q04771 1/20 0.42
JAK2 O60674 2/20 0.41
IDO1 P14902 1/20 0.40
CAMK2D Q13557 3/20 0.40
ADORA2B P29275 2/20 0.40
ADORA1 P30542 2/20 0.40
TLR8 Q9NR97 1/20 0.40
MAP4K4 O95819 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
FLT3 P36888 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
SCHEMBL7463426 0.83 ABL1 (0.80) ABL1BCRSRCPRKCAPRKCD
SCHEMBL7465915 0.82 ABL1 (0.71) ABL1BCRSRCPRKCAPRKCD
SCHEMBL6256104 0.81 ABL1 (1.00) ABL1BCRSRCPRKCAPRKCD
SCHEMBL8592858 0.81 ABL1 (0.67) ABL1BCRSRCPRKCAPRKCD
SCHEMBL7469128 0.80 SRC (0.67) ABL1BCRSRCPRKCAPRKCD
SCHEMBL4902560 0.78 ABL1 (0.72) ABL1BCRSRCPRKCAPRKCD
SCHEMBL7464447 0.77 PIK3CA (0.62) ABL1BCRSRCCAMK2DTLR8
SCHEMBL9843592 0.76 CCNT1 (0.49) ABL1BCRSRCPRKCAPRKCD
SCHEMBL7832457 0.74 ABL1 (0.45) ABL1BCRSRCPRKCAPRKCD
SCHEMBL4902208 0.74 ABL1 (0.67) ABL1BCRSRCPRKCAPRKCD

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-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 disclosed
US-5064963-A CONTROLLING PH DURING REACTION AMERICAN CYANAMID COMPANY (US) 1991-11-12 US disclosed