SCHEMBL18138307

SCHEMBL18138307

COc1cc(OC)c(Cl)c(N(C(=O)OC(C)(C)C)C(=O)N(Cc2ccccc2)c2cc(Cl)ncn2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 2/20 0.43
▸ FGFR1 P11362 4/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ FGFR3 P22607 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ EGFR P00533 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL18138353 0.85 FGFR4 (0.34) FGFR4FGFR1FGFR3CYP3A4CYP2C19
SCHEMBL18138303 0.82 FGFR4 (0.37) FGFR4FGFR1KMT2AMAPK1FGFR3
SCHEMBL30745811 0.82 FGFR4 (0.37) FGFR4FGFR1FGFR3CYP3A4CYP2C19
SCHEMBL16659621 0.82 FGFR4 (0.37) FGFR4FGFR1FGFR3CYP3A4CYP2C19
SCHEMBL18138306 0.82 FGFR4 (0.44) FGFR4FGFR1FGFR3CYP3A4CYP2C19
SCHEMBL18138305 0.81 FGFR4 (0.36) FGFR4FGFR1KMT2AMAPK1FGFR3
SCHEMBL18138308 0.79 FGFR4 (0.50) FGFR4FGFR1FGFR3EGFRFGFR2
SCHEMBL28609741 0.78 FGFR1 (0.33) FGFR4FGFR1FGFR3CYP3A4CYP2C19
SCHEMBL16655847 0.77 FGFR4 (0.42) FGFR4FGFR1KMT2AMAPK1FGFR3
SCHEMBL19633217 0.76 FGFR4 (0.34) FGFR4FGFR1FGFR3CYP3A4CYP2C19

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
WO-2016164754-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-10-13 — — WO disclosed
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