SCHEMBL19670484

SCHEMBL19670484

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ MTOR P42345 11/20 0.33
▸ PTK2 Q05397 2/20 0.31
▸ WNT3A P56704 1/20 0.31
▸ BRD4 O60885 2/20 0.31
▸ CREBBP Q92793 2/20 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
SCHEMBL19670588 0.90 FGFR4 (0.38) FAAHFGFR4CSNK1DCSNK1EPDK1
SCHEMBL19365298 0.87 FGFR4 (0.43) FAAHFGFR4CSNK1DCSNK1EWNT3A
SCHEMBL17618593 0.86 FAAH (0.39) FAAHFGFR4CSNK1DCSNK1EMTOR
SCHEMBL19669050 0.84 TRPV1 (0.35) FGFR4MTORPTK2WNT3ABRD4
SCHEMBL19670233 0.83 FAAH (0.39) FAAHFGFR4CSNK1DCSNK1EPDK1
SCHEMBL19670584 0.83 FAAH (0.41) FAAHFGFR4CSNK1DCSNK1EPDK1
SCHEMBL19670373 0.82 KDR (0.41) FAAHFGFR4CSNK1DCSNK1E
SCHEMBL19670266 0.82 FGFR4 (0.41) FAAHFGFR4CSNK1DCSNK1EPDK1
SCHEMBL19365394 0.81 FAAH (0.39) FAAHFGFR4CSNK1DCSNK1EPDK1
SCHEMBL19365299 0.81 FGFR4 (0.40) FAAHFGFR4CSNK1DCSNK1EPDK1

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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