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Sugi Predict / Compounds / SCHEMBL8893950

SCHEMBL8893950

SCHEMBL8893950

Nc1ncc(-c2c(F)c(F)c(F)c(F)c2F)c(N)n1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 6/20 0.43
▸ FGFR1 P11362 4/20 0.40
▸ SRC P12931 1/20 0.39
▸ ADORA1 P30542 1/20 0.38

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
SCHEMBL27612436 0.73 DHFR (0.45) DHFRFGFR1ADORA1
SCHEMBL4629601 0.72 ADORA1 (0.63) DHFRADORA1
SCHEMBL4613214 0.72 DHFR (0.53) DHFRFGFR1SRCADORA1
SCHEMBL4200127 0.72 FGFR1 (0.71) DHFRFGFR1SRCADORA1
SCHEMBL4486186 0.71 FGFR1 (0.55) DHFRFGFR1SRCADORA1
SCHEMBL4613355 0.71 DHFR (0.51) DHFRADORA1
SCHEMBL4338538 0.71 FGFR1 (0.71) DHFRFGFR1SRC
SCHEMBL655268 0.70 — —
SCHEMBL1388590 0.68 DHFR (0.70) DHFRFGFR1SRCADORA1
SCHEMBL1388331 0.67 DHFR (0.67) DHFRADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997020827-A1 FLUOROPHENYL-TRIAZINE AND PYRIMIDINE DERIVATIVES AS COMPOUNDS ACTING ON THE CENTRAL NERVOUS SYSTEM LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1997-06-12 — — WO claimed
WO-1997020827-A1 FLUOROPHENYL-TRIAZINE AND PYRIMIDINE DERIVATIVES AS COMPOUNDS ACTING ON THE CENTRAL NERVOUS SYSTEM LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1997-06-12 — — WO disclosed