SCHEMBL6995534

SCHEMBL6995534

CS(=O)(=O)c1ncc2ncnc(Nc3cccc(OC(F)(F)F)c3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.49
SYK P43405 1/20 0.48
PIM1 P11309 2/20 0.48
EGFR P00533 11/20 0.47
CTSC P53634 1/20 0.45
ERBB2 P04626 1/20 0.43
ERBB3 P21860 1/20 0.43
ERBB4 Q15303 1/20 0.43

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
SCHEMBL6992205 0.91 EGFR (0.45) BRAFEGFR
SCHEMBL8320237 0.88 EGFR (0.55) EGFR
SCHEMBL6996883 0.86 EGFR (0.51) EGFR
SCHEMBL8318188 0.85 EGFR (0.55) BRAFSYKEGFR
SCHEMBL8314880 0.83 EGFR (0.53) EGFR
SCHEMBL6989584 0.82 EGFR (0.47) EGFRERBB2ERBB4
SCHEMBL6993872 0.82 EGFR (0.69) EGFR
SCHEMBL6996977 0.82 SYK (0.50) BRAFSYKPIM1EGFRCTSC
SCHEMBL8315829 0.81 EGFR (0.51) EGFR
SCHEMBL8320084 0.81 EGFR (0.70) EGFRERBB2

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