SCHEMBL19365299

SCHEMBL19365299

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.40
▸ FAAH O00519 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ HPGDS O60760 1/20 0.35
▸ RPS6KA2 Q15349 1/20 0.35
▸ MTOR P42345 3/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ RPS6KA1 Q15418 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
SCHEMBL19670266 0.91 FGFR4 (0.41) FGFR4FAAHCSNK1DCSNK1EPDK1
SCHEMBL19670149 0.90 FGFR4 (0.39) FGFR4FAAHCSNK1DCSNK1EPDK1
SCHEMBL19365721 0.88 FGFR4 (0.37) FGFR4FAAHCSNK1DCSNK1EPDK1
SCHEMBL19365725 0.88 FGFR4 (0.37) FGFR4FAAHCSNK1DCSNK1EPDK1
SCHEMBL19670334 0.86 FGFR4 (0.36) FGFR4FAAHPDK1PDK2PDK3
SCHEMBL19670267 0.86 FGFR4 (0.41) FGFR4FAAHCSNK1DCSNK1EPDK1
SCHEMBL19670444 0.85 ITGB2 (0.36) FGFR4FAAHPDK1PDK2PDK3
SCHEMBL19361172 0.84 FAAH (0.39) FGFR4FAAHCSNK1DCSNK1EHPGDS
SCHEMBL19670373 0.84 KDR (0.41) FGFR4FAAHCSNK1DCSNK1EHPGDS
SCHEMBL19670584 0.84 FAAH (0.41) FGFR4FAAHCSNK1DCSNK1EPDK1

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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