SCHEMBL4712432

SCHEMBL4712432

NC(=O)c1cccc(Nc2nccc(-c3cnccn3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.61
BCR P11274 3/20 0.61
PRKCA P17252 2/20 0.61
MAPK8 P45983 1/20 0.58
PIK3CG P48736 1/20 0.58
GSK3B P49841 1/20 0.58
CAMKK2 Q96RR4 1/20 0.58
SRC P12931 2/20 0.57
AURKA O14965 1/20 0.56
SYK P43405 1/20 0.55
PDGFRB P09619 1/20 0.55
PDGFRA P16234 1/20 0.55
PRKCD Q05655 1/20 0.55

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
SCHEMBL4895454 0.87 ABL1 (0.80) ABL1BCRPRKCAMAPK8PIK3CG
SCHEMBL4903688 0.86 MAPK8 (0.63) ABL1BCRPRKCAMAPK8PIK3CG
Hydrochloric Acid SCHEMBL27711429 0.86 ABL1 (0.79) ABL1BCRPRKCAMAPK8PIK3CG
SCHEMBL4903516 0.85 MAPK8 (0.68) ABL1BCRPRKCAMAPK8PIK3CG
Hydrochloric Acid SCHEMBL27708725 0.85 ABL1 (0.77) ABL1BCRPRKCAMAPK8PIK3CG
SCHEMBL3747896 0.84 CAMKK2 (0.80) ABL1BCRPRKCAMAPK8PIK3CG
SCHEMBL3758823 0.81 MAPK8 (0.76) ABL1BCRPRKCAMAPK8PIK3CG
SCHEMBL5039680 0.81 AURKA (0.62) AURKASYK
SCHEMBL4710600 0.80 SYK (0.66) MAPK8PIK3CGGSK3BCAMKK2SRC
SCHEMBL29818161 0.80 ROCK1 (0.50) ABL1BCRPRKCAMAPK8PIK3CG

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
EP-1922309-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Il Yang Pharm. Co. Ltd. (KR) 2008-05-21 EP disclosed
WO-2007018325-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL-YANG PHARM. CO., LTD. (KR) 2007-02-15 WO disclosed