SCHEMBL19670373

SCHEMBL19670373

COc1cc(NC(=O)N2c3nc(-c4cccc(OC(F)(F)F)c4)ccc3N(C)CC[C@H]2C)ncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.41
▸ FGFR4 P22455 1/20 0.40
▸ KIT P10721 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ CSNK1D P48730 1/20 0.36
▸ CSNK1E P49674 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ SLC5A1 P13866 1/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ MAPK7 Q13164 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL19365522 0.88 KDM4E (0.39) DYRK1AIRAK4SLC5A1HPGDSFYN
SCHEMBL19670150 0.87 IRAK4 (0.40) IRAK4GSK3BMAPK14SLC5A1SCN9A
SCHEMBL19670588 0.86 FGFR4 (0.38) FGFR4FAAHCSNK1DCSNK1EMAPK1
SCHEMBL17618447 0.85 KIT (0.41) KDRFGFR4KITFAAHDYRK1A
SCHEMBL19670362 0.85 IRAK4 (0.39) IRAK4SLC5A1SCN9AFYN
SCHEMBL19670149 0.85 FGFR4 (0.39) FGFR4KITFAAHCSNK1DCSNK1E
SCHEMBL19670233 0.85 FAAH (0.39) FGFR4FAAHCSNK1DCSNK1EMAPK1
SCHEMBL19670584 0.85 FAAH (0.41) FGFR4FAAHDYRK1AIRAK4CSNK1D
SCHEMBL19670168 0.85 IRAK4 (0.43) IRAK4GSK3BMAPK14SLC5A1SCN9A
SCHEMBL19365442 0.85 FAAH (0.37) FGFR4FAAHCSNK1DCSNK1ECCNA2

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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