SCHEMBL8293192

SCHEMBL8293192

Cc1ccc(-c2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.68
BCR P11274 3/20 0.68
PRKCA P17252 3/20 0.68
EGFR P00533 1/20 0.67
SRC P12931 1/20 0.67
CDK2 P24941 8/20 0.66
CDK4 P11802 8/20 0.66
PIK3CA P42336 5/20 0.64
PIK3CB P42338 5/20 0.64
PIK3CG P48736 5/20 0.64
PLK1 P53350 1/20 0.63
CCNT1 O60563 3/20 0.59
CDK9 P50750 3/20 0.59
GSK3B P49841 3/20 0.59
CDK1 P06493 2/20 0.59
CCNB1 P14635 2/20 0.59
CCNA2 P20248 2/20 0.59
CDK7 P50613 2/20 0.59
CCNH P51946 2/20 0.59
AURKA O14965 1/20 0.59

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
SCHEMBL4738534 0.90 PIK3CA (0.78) ABL1BCRPRKCAEGFRSRC
SCHEMBL824007 0.85 ABL1 (0.84) ABL1BCRPRKCAEGFRSRC
SCHEMBL4733637 0.85 ABL1 (0.76) ABL1BCRPRKCAEGFRSRC
SCHEMBL4734534 0.81 ABL1 (0.68) ABL1BCRPRKCAEGFRSRC
SCHEMBL1144 0.81 ABL1 (1.00) ABL1BCRPRKCAEGFRSRC
SCHEMBL4737544 0.81 CDK2 (0.65) ABL1BCRPRKCAEGFRSRC
SCHEMBL4733655 0.81 PIK3CG (0.76) ABL1BCRPRKCAEGFRSRC
SCHEMBL4739200 0.81 ABL1 (0.76) ABL1BCRPRKCAEGFRSRC
SCHEMBL4734622 0.81 ABL1 (0.76) ABL1BCRPRKCAEGFRSRC
SCHEMBL1977 0.80 ABL1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO disclosed