SCHEMBL21386682

SCHEMBL21386682

COc1cc(OC)c(Cl)c(/C(F)=C/c2cnc(Nc3c(C)cc(N4CCN(C)CC4)cc3[N+](=O)[O-])nc2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.42
▸ BRD4 O60885 6/20 0.41
▸ FGFR1 P11362 5/20 0.40
▸ FGFR4 P22455 4/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.39
▸ PLK1 P53350 2/20 0.38
▸ HTR6 P50406 2/20 0.38
▸ SRC P12931 1/20 0.37

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
SCHEMBL21756559 0.92 FGFR1 (0.50) FGFR1FGFR4
SCHEMBL21386604 0.84 FGFR4 (0.37) FGFR1FGFR4
SCHEMBL21386670 0.81 FGFR4 (0.47) FGFR1FGFR4
SCHEMBL21386669 0.79 FGFR1 (0.51) FGFR1FGFR4
SCHEMBL21756558 0.78 FGFR1 (0.39) FGFR1FGFR4SRC
SCHEMBL21756598 0.78 FGFR1 (0.48) EGFRFGFR1FGFR4SRC
SCHEMBL21386685 0.76 FGFR4 (0.68) EGFRFGFR1FGFR4
SCHEMBL21756524 0.76 FGFR4 (0.68) FGFR1FGFR4
SCHEMBL21756508 0.75 FGFR4 (0.55) FGFR1FGFR4
SCHEMBL18131810 0.71 FGFR1 (0.70) FGFR1FGFR4

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-3543227-A1 FGFR4 INHIBITOR AND PREPARATION METHOD AND USE THEREOF Guangdong Zhongsheng Pharmaceutical Co., Ltd (CN) 2019-09-25 — — EP disclosed
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