SCHEMBL19365394

SCHEMBL19365394

COc1cc(NC(=O)N2c3nc(-c4cccc(N5CC[C@@H](F)C5)c4)ccc3N(C)CC[C@H]2C)ncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.39
▸ FGFR4 P22455 1/20 0.37
▸ CSNK1D P48730 1/20 0.36
▸ CSNK1E P49674 1/20 0.36
▸ LRRK2 Q5S007 3/20 0.34
▸ PDK1 Q15118 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ PDK3 Q15120 1/20 0.34
▸ PDK4 Q16654 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ RPS6KA2 Q15349 1/20 0.32
▸ FFAR4 Q5NUL3 3/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ NEK2 P51955 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL19365442 0.93 FAAH (0.37) FAAHFGFR4CSNK1DCSNK1ELRRK2
SCHEMBL19670584 0.91 FAAH (0.41) FAAHFGFR4CSNK1DCSNK1EPDK1
SCHEMBL19670279 0.91 FAAH (0.38) FAAHFGFR4CSNK1DCSNK1ELRRK2
SCHEMBL19365725 0.89 FGFR4 (0.37) FAAHFGFR4CSNK1DCSNK1ELRRK2
SCHEMBL19365721 0.89 FGFR4 (0.37) FAAHFGFR4CSNK1DCSNK1ELRRK2
SCHEMBL19365384 0.89 FGFR4 (0.43) FAAHFGFR4CSNK1DCSNK1ELRRK2
SCHEMBL17618531 0.88 FAAH (0.40) FAAHFGFR4CSNK1DCSNK1ELRRK2
SCHEMBL17618558 0.88 FAAH (0.40) FAAHFGFR4CSNK1DCSNK1ELRRK2
SCHEMBL19365436 0.86 VCP (0.41) FAAHPDE10A
SCHEMBL19365434 0.86 VCP (0.41) FAAHPDE10A

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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