SCHEMBL5779783

SCHEMBL5779783

Oc1ccc(Nc2nccc(-c3cccc(Cc4nc[nH]n4)c3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 8/20 0.61
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CDK5 Q00535 1/20 0.46
KMT2A Q03164 1/20 0.46
CDK5R1 Q15078 1/20 0.46
SYK P43405 4/20 0.44
CDK4 P11802 3/20 0.43
CDK2 P24941 3/20 0.43
JAK2 O60674 2/20 0.42
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
AURKA O14965 1/20 0.41
CCNA2 P20248 1/20 0.41
KDR P35968 1/20 0.41
PTK2 Q05397 1/20 0.41
AURKB Q96GD4 1/20 0.41
ABL1 P00519 1/20 0.40
EGFR P00533 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
SCHEMBL5401497 0.88 MEN1 (0.62) PLK1MEN1NPC1RAB9ACDK5
SCHEMBL5399055 0.83 CDK5 (0.47) PLK1MEN1NPC1RAB9ACDK5
SCHEMBL5780608 0.81 ABL1 (0.63) PLK1MEN1CDK5KMT2ACDK5R1
SCHEMBL4735865 0.78 PLK1 (0.66) PLK1MEN1NPC1RAB9ACDK5
SCHEMBL4786087 0.78 PLK1 (0.78) PLK1MEN1NPC1RAB9ACDK5
SCHEMBL5479846 0.78 PLK1 (0.66) PLK1MEN1NPC1RAB9ACDK5
SCHEMBL4736259 0.76 PLK1 (1.00) PLK1MEN1NPC1RAB9ACDK5
SCHEMBL4735460 0.75 PLK1 (0.82) PLK1MEN1NPC1RAB9ACDK5
SCHEMBL4737520 0.75 PLK1 (0.73) PLK1MEN1NPC1RAB9ACDK5
SCHEMBL4907230 0.75 PLK1 (1.00) PLK1MEN1NPC1RAB9ACDK5

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