SCHEMBL18131692

SCHEMBL18131692

COc1cc(OC)c(F)c(COc2cnc(Nc3ccc(N4CCOCC4)cc3[N+](=O)[O-])nc2)c1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FGFR3 P22607 9/20 0.49
▸ FGFR1 P11362 5/20 0.47
▸ FGFR4 P22455 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ INSR P06213 1/20 0.47
▸ ALK Q9UM73 1/20 0.47
▸ FGFR2 P21802 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ KCNH2 Q12809 6/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PKM P14618 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
SCHEMBL18131825 0.89 FGFR1 (0.58) FGFR3FGFR1FGFR4FGFR2KCNH2
SCHEMBL18134020 0.86 FGFR3 (0.52) FGFR3FGFR1FGFR4INSRALK
SCHEMBL18131707 0.86 FGFR4 (0.56) FGFR3FGFR1FGFR4FGFR2KCNH2
SCHEMBL18131735 0.82 FGFR4 (0.70) FGFR3FGFR1FGFR4FGFR2
SCHEMBL15244202 0.82 FGFR3 (0.61) FGFR3FGFR1FGFR4FGFR2KCNH2
SCHEMBL15728627 0.78 FGFR3 (0.65) FGFR3FGFR1FGFR4FGFR2KCNH2
SCHEMBL18132818 0.77 FGFR3 (0.56) FGFR3FGFR1FGFR4FGFR2KCNH2
SCHEMBL15728503 0.77 FGFR3 (0.70) FGFR3FGFR1FGFR4FGFR2KCNH2
SCHEMBL15728559 0.76 FGFR3 (0.71) FGFR3FGFR1FGFR4FGFR2KCNH2
SCHEMBL18912651 0.76 FGFR3 (0.81) FGFR3FGFR1FGFR4FGFR2KCNH2

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-2016164703-A1 FGFR4 INHIBITORS EISAI R & D MANAGEMENT CO., LTD. (JP) 2016-10-13 — — WO disclosed
WO-2016164703-A1 FGFR4 INHIBITORS EISAI R & D MANAGEMENT CO., LTD. (JP) 2016-10-13 — — WO disclosed
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