SCHEMBL22828278

SCHEMBL22828278

C=C(C)c1c(OC)cc(OC)c(F)c1COc1ccc(NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 11/20 0.48
▸ FGFR4 P22455 13/20 0.43
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MET P08581 3/20 0.38
▸ FGFR3 P22607 3/20 0.35
▸ FGFR2 P21802 2/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL29733429 0.91 FGFR1 (0.56) FGFR1FGFR4CYP3A4CYP2C9CYP2C19
SCHEMBL22807293 0.77 FGFR1 (0.60) FGFR1FGFR4CYP3A4CYP2C9CYP2C19
SCHEMBL8228538 0.73 DEGS1 (0.49) NPC1MITFTP53GAARAB9A
SCHEMBL29211424 0.69 ANO1 (0.40) CYP2C9GAA
SCHEMBL23510760 0.69 GSK3B (0.42) ABCB1NPC1MITFTP53GAA
SCHEMBL13876322 0.68 GRIN2B (0.47) TP53
SCHEMBL15879088 0.68 GSK3B (0.42) NPC1RAB9A
SCHEMBL31599569 0.68 GRIN2B (0.47) TP53
SCHEMBL18131773 0.68 FGFR4 (0.80) FGFR1FGFR4CYP3A4CYP2C9CYP2C19
SCHEMBL2116624 0.67 GSK3B (0.44) ABCB1GAA

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-2020257527-A1 COMPOUNDS FOR INHIBITING FGFR4 Terns, Inc. (US) 2020-12-24 — — WO disclosed
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