SCHEMBL16388983

SCHEMBL16388983

CC[C@H](O)COc1ccc(Nc2ncc(OCc3c(F)c(OC)cc(OC)c3F)cn2)cn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FGFR3 P22607 11/20 0.53
▸ FGFR4 P22455 9/20 0.53
▸ FGFR1 P11362 8/20 0.53
▸ FGFR2 P21802 1/20 0.53
▸ KCNH2 Q12809 7/20 0.51
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45

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
SCHEMBL15728680 0.93 FGFR3 (0.55) FGFR3FGFR4FGFR1FGFR2KCNH2
SCHEMBL15728596 0.93 FGFR3 (0.55) FGFR3FGFR4FGFR1FGFR2KCNH2
SCHEMBL18132757 0.88 FGFR3 (0.49) FGFR3FGFR4FGFR1FGFR2KCNH2
SCHEMBL18132745 0.88 FGFR3 (0.49) FGFR3FGFR4FGFR1FGFR2KCNH2
SCHEMBL21280290 0.87 FGFR3 (0.61) FGFR3FGFR4FGFR1FGFR2KCNH2
SCHEMBL15709948 0.85 FGFR3 (0.61) FGFR3FGFR4FGFR1FGFR2KCNH2
SCHEMBL15709822 0.83 FGFR3 (0.56) FGFR3FGFR4FGFR1FGFR2KCNH2
SCHEMBL15728632 0.80 FGFR3 (0.55) FGFR3FGFR4FGFR1FGFR2KCNH2
SCHEMBL18132769 0.80 FGFR3 (0.55) FGFR3FGFR4FGFR1FGFR2KCNH2
SCHEMBL15728617 0.79 FGFR3 (0.54) FGFR3FGFR4FGFR1FGFR2KCNH2

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-2821402-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2015-01-07 — — EP disclosed
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