SCHEMBL5779116

SCHEMBL5779116

O=[N+]([O-])c1cccc(Nc2nccc(-c3cccc(Cc4ncc[nH]4)c3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.64
BCR P11274 4/20 0.64
PRKCA P17252 3/20 0.64
EGFR P00533 2/20 0.64
SRC P12931 1/20 0.64
PLK1 P53350 1/20 0.60
CDK2 P24941 8/20 0.58
CDK4 P11802 8/20 0.58
CCNT1 O60563 4/20 0.54
CDK9 P50750 4/20 0.54
CDK1 P06493 2/20 0.54
CCNB1 P14635 2/20 0.54
CCNA2 P20248 2/20 0.54
CDK7 P50613 2/20 0.54
CCNH P51946 2/20 0.54
CCNA1 P78396 1/20 0.54
GSK3B P49841 3/20 0.52
AURKA O14965 1/20 0.52
CCNB2 O95067 1/20 0.52
CCNE2 O96020 1/20 0.52

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
SCHEMBL8293680 0.84 ABL1 (0.69) ABL1BCRPRKCAEGFRSRC
SCHEMBL4734812 0.84 ABL1 (0.71) ABL1BCRPRKCAEGFRSRC
SCHEMBL5780608 0.84 ABL1 (0.63) ABL1BCRPRKCAEGFRSRC
SCHEMBL824007 0.84 ABL1 (0.84) ABL1BCRPRKCAEGFRSRC
SCHEMBL4736490 0.82 ABL1 (0.67) ABL1BCRPRKCAEGFRSRC
SCHEMBL4735051 0.82 ABL1 (0.67) ABL1BCRPRKCAEGFRSRC
SCHEMBL4733400 0.80 ABL1 (0.65) ABL1BCRPRKCAEGFRSRC
SCHEMBL4733512 0.79 ABL1 (0.64) ABL1BCRPRKCAEGFRSRC
SCHEMBL17911903 0.79 TAAR1 (0.55)
SCHEMBL4733637 0.79 ABL1 (0.76) ABL1BCRPRKCAEGFRSRC

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-1648875-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 EP disclosed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO disclosed