SCHEMBL6990925

SCHEMBL6990925

C[S+]([O-])c1ncc2ncnc(Nc3cccc(OC(F)(F)F)c3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
PIM1 P11309 3/20 0.48
BRAF P15056 5/20 0.47
EGFR P00533 10/20 0.46
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
SCHEMBL6998003 0.91 EGFR (0.44) SYKPIM1BRAFEGFR
SCHEMBL6996349 0.86 EGFR (0.48) EGFR
SCHEMBL6996923 0.82 EGFR (0.45) EGFRERBB2ERBB4
SCHEMBL6997797 0.82 EGFR (0.67) EGFRERBB2
SCHEMBL6996977 0.82 SYK (0.50) SYKPIM1BRAFEGFRCTSC
SCHEMBL6409884 0.80 EGFR (0.62) PIM1EGFRERBB2
SCHEMBL6995534 0.80 BRAF (0.49) SYKPIM1BRAFEGFRCTSC
SCHEMBL6999037 0.78 EGFR (0.51) SYKBRAFEGFRERBB2ERBB3
SCHEMBL6991965 0.78 EGFR (0.48) SYKEGFR
SCHEMBL6999413 0.78 ABCG2 (0.54) SYKEGFR

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