SCHEMBL7465702

SCHEMBL7465702

FC(F)(F)c1cc(Nc2nccc(-c3ccncc3)n2)ccc1-n1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.56
CCND3 P30281 4/20 0.56
GSK3B P49841 4/20 0.56
PIM1 P11309 3/20 0.56
CCNA2 P20248 9/20 0.56
CDK2 P24941 9/20 0.56
CCNA1 P78396 9/20 0.56
MTOR P42345 2/20 0.54
ABL1 P00519 3/20 0.51
BCR P11274 3/20 0.51
PRKCA P17252 2/20 0.51
SRC P12931 2/20 0.51
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
PRKCD Q05655 1/20 0.51
IKBKB O14920 1/20 0.50

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
SCHEMBL7535607 0.85 SYK (0.54) CDK4CCND3GSK3BPIM1CCNA2
SCHEMBL25068502 0.81 CDK4 (0.85) CDK4CCND3GSK3BPIM1CCNA2
SCHEMBL7462511 0.78 IKBKB (0.64) ABL1BCRPRKCASRCPDGFRB
SCHEMBL7463426 0.78 ABL1 (0.80) ABL1BCRPRKCASRCPDGFRB
SCHEMBL4902560 0.73 ABL1 (0.72) GSK3BABL1BCRPRKCASRC
SCHEMBL3536285 0.72 ABL1 (0.76) ABL1BCRPRKCASRCPDGFRB
SCHEMBL4901590 0.72 ABL1 (0.67) CDK4GSK3BCDK2MTORABL1
SCHEMBL25068536 0.72 CDK4 (1.00) CDK4CCND3GSK3BPIM1CCNA2
SCHEMBL16941489 0.71 ABL1 (0.61) GSK3BCDK2ABL1BCRPRKCA
SCHEMBL25068498 0.71 CCNA2 (0.85) CDK4CCND3GSK3BPIM1CCNA2

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
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed