SCHEMBL6992546

SCHEMBL6992546

CSc1ncc2ncnc(Nc3cccc(OC(F)(F)C(F)F)c3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.45
ABL1 P00519 2/20 0.44
BCR P11274 2/20 0.44
PRKCA P17252 2/20 0.43
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK1 P06493 1/20 0.42
FGFR1 P11362 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CCND2 P30279 1/20 0.42
CCND3 P30281 1/20 0.42
CCNA1 P78396 1/20 0.42

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
SCHEMBL6996977 0.91 SYK (0.50) EGFRBRAFSYKPIM1
SCHEMBL8314069 0.84 EGFR (0.57) EGFRABCG2DYRK3MAP4K4PDGFRA
SCHEMBL6992205 0.83 EGFR (0.45) EGFRABL1BCRPRKCACCNB2
SCHEMBL6998003 0.83 EGFR (0.44) EGFRABL1BCRPRKCACCNB2
SCHEMBL6997172 0.83 EGFR (0.50) EGFRABCG2DYRK3MAP4K4PDGFRA
SCHEMBL8317468 0.81 EGFR (0.57) EGFRBRAFABCG2
SCHEMBL8314131 0.80 EGFR (0.53) EGFRABCG2
SCHEMBL6996346 0.79 EGFR (0.47) EGFRABCG2DYRK3MAP4K4PDGFRA
SCHEMBL6992120 0.79 EGFR (0.70) EGFR
SCHEMBL8313726 0.78 EGFR (0.59) EGFR

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-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP disclosed