SCHEMBL4969035

SCHEMBL4969035

FC(F)Oc1ccc2c(c1)ncn2S

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 10/20 0.44
KCNH2 Q12809 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
DRD1 P21728 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL18034957 0.81 KMT2A (0.55) FGFR1KCNH2KMT2AGAAHPGD
SCHEMBL31202980 0.77 NPC1 (0.50) FGFR1KMT2AGAAHPGD
SCHEMBL27618584 0.69 CYP17A1 (0.35) FGFR1KMT2AHPGD
SCHEMBL620666 0.68 HTT (0.53) KMT2AGAA
SCHEMBL1975997 0.68 FGFR1 (0.54) FGFR1KMT2AGAAHPGDGABRG2
Hydrochloric Acid SCHEMBL6327753 0.68 CYP17A1 (0.34) FGFR1KMT2AHPGD
SCHEMBL29526031 0.68 FGFR1 (0.42) FGFR1KCNH2HPGD
SCHEMBL8733535 0.67 FGFR1 (0.53) FGFR1KMT2AGAAHPGDGABRG2
SCHEMBL14344253 0.67 MAPT (0.61) KMT2A
SCHEMBL14656406 0.65 FGFR1 (0.52) FGFR1KCNH2HPGD

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
EP-1910366-A2 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2008-04-16 EP disclosed
WO-2007012972-A2 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2007-02-01 WO disclosed