SCHEMBL19670149

SCHEMBL19670149

COc1cc(NC(=O)N2c3nc(-c4ccnc(C(F)(F)F)c4)ccc3N(C)CC[C@H]2C)ncn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.39
▸ HPGDS O60760 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ RPS6KB1 P23443 9/20 0.35
▸ AKT1 P31749 8/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ RPS6KA2 Q15349 1/20 0.34
▸ CSNK1D P48730 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ HCRTR1 O43613 1/20 0.32
▸ KIT P10721 1/20 0.32

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
SCHEMBL19365299 0.90 FGFR4 (0.40) FGFR4HPGDSFAAHAKT1PDK1
SCHEMBL19670266 0.89 FGFR4 (0.41) FGFR4HPGDSFAAHPDK1PDK2
SCHEMBL19670444 0.86 ITGB2 (0.36) FGFR4HPGDSFAAHPDK1PDK2
SCHEMBL19365725 0.85 FGFR4 (0.37) FGFR4HPGDSFAAHPDK1PDK2
SCHEMBL19365721 0.85 FGFR4 (0.37) FGFR4HPGDSFAAHPDK1PDK2
SCHEMBL19670375 0.85 TRPV1 (0.41) GSK3BKIT
SCHEMBL19670373 0.85 KDR (0.41) FGFR4HPGDSFAAHCSNK1DCSNK1E
SCHEMBL17618449 0.85 HPGDS (0.38) FGFR4HPGDSFAAHRPS6KB1AKT1
SCHEMBL19670368 0.84 FGFR4 (0.39) FGFR4FAAHKIT
SCHEMBL19670334 0.84 FGFR4 (0.36) FGFR4HPGDSFAAHPDK1PDK2

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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