SCHEMBL14043504

SCHEMBL14043504

O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 18/20 0.76
BCR P11274 16/20 0.76
PDGFRB P09619 8/20 0.76
PDGFRA P16234 8/20 0.76
SRC P12931 8/20 0.74
PRKCA P17252 6/20 0.74
PRKCD Q05655 3/20 0.74
PRKD3 O94806 1/20 0.74
PRKCG P05129 1/20 0.74
PRKCB P05771 1/20 0.74
PRKCH P24723 1/20 0.74
PRKCI P41743 1/20 0.74
PRKCE Q02156 1/20 0.74
PRKCQ Q04759 1/20 0.74
PRKCZ Q05513 1/20 0.74
PRKD1 Q15139 1/20 0.74
ABL2 P42684 2/20 0.73
EGFR P00533 1/20 0.61
SYK P43405 1/20 0.61
MAPK8 P45983 1/20 0.60

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
SCHEMBL4904803 0.92 ABL1 (0.66) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL4903651 0.92 ABL1 (0.64) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL4892458 0.88 PDGFRA (0.78) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL4901151 0.88 ABL1 (0.80) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL6041110 0.87 ABL1 (0.57) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL9565 0.86 ABL1 (1.00) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL1430 0.85 ABL1 (1.00) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL9197 0.85 ABL1 (1.00) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL1653882 0.85 ABL1 (0.70) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL10208 0.84 ABL1 (0.82) ABL1BCRPDGFRBPDGFRASRC

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-2008130944-A1 SOLID PHASE SYNTHESES OF AMINO PYRIMIDINE COMPOUNDS IRM LLC (BM) 2008-10-30 WO disclosed