SCHEMBL19670584

SCHEMBL19670584

COc1cc(NC(=O)N2c3nc(-c4cccc(N5CCCC5)c4)ccc3N(C)CC[C@H]2C)ncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.41
▸ FGFR4 P22455 1/20 0.41
▸ CSNK1D P48730 1/20 0.36
▸ CSNK1E P49674 1/20 0.36
▸ RPS6KA2 Q15349 1/20 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
▸ POLQ O75417 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CAMK2D Q13557 1/20 0.33

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
SCHEMBL19365394 0.91 FAAH (0.39) FAAHFGFR4CSNK1DCSNK1ERPS6KA2
SCHEMBL19365442 0.89 FAAH (0.37) FAAHFGFR4CSNK1DCSNK1ERPS6KA2
SCHEMBL19670471 0.89 POLQ (0.35) POLQHCRTR2CNR1TRPV3ROCK2
SCHEMBL19365745 0.87 DHFR (0.38) FAAHJAK2CAMK2DTRPV3IRAK4
SCHEMBL19670233 0.87 FAAH (0.39) FAAHFGFR4CSNK1DCSNK1EPDK1
SCHEMBL16776041 0.86 FAAH (0.40) FAAHFGFR4CSNK1DCSNK1ERPS6KA2
SCHEMBL17618442 0.86 FAAH (0.41) FAAHFGFR4CSNK1DCSNK1ERPS6KA2
SCHEMBL19670153 0.85 VCP (0.41) FAAHFGFR4JAK2CAMK2DTRPV3
SCHEMBL19670373 0.85 KDR (0.41) FAAHFGFR4CSNK1DCSNK1EIRAK4
SCHEMBL19670266 0.85 FGFR4 (0.41) FAAHFGFR4CSNK1DCSNK1ERPS6KA2

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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