SCHEMBL17770052

SCHEMBL17770052

CC(NC(=O)c1ccc2c(n1)N(C(=O)Nc1cc(-c3cnc(C4CC4)s3)ccn1)C1CCN2C1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 4/20 0.32
▸ AXL P30530 4/20 0.32
▸ PIK3C3 Q8NEB9 1/20 0.32
▸ AKT1 P31749 2/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ CBLB Q13191 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ RORC P51449 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
SCHEMBL17770276 1.00 MAP3K5 (0.32) MAP3K5AXLPIK3C3AKT1CNR2
SCHEMBL17770048 1.00 MAP3K5 (0.32) MAP3K5AXLPIK3C3AKT1CNR2
SCHEMBL17770272 1.00 MAP3K5 (0.32) MAP3K5AXLPIK3C3AKT1CNR2
SCHEMBL17770061 0.92 DYRK1A (0.38) CNR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17770057 0.92 DYRK1A (0.38) CNR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19736182 0.92 DYRK1A (0.38) CNR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19714534 0.88 NTRK1 (0.37) AXLCNR2CBLB
SCHEMBL19714533 0.88 NTRK1 (0.37) AXLCNR2CBLB
SCHEMBL20720935 0.88 GSK3B (0.37) AKT1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17778546 0.88 GSK3B (0.37) AKT1PIK3CDPIK3CAPIK3CBPIK3CG

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
EP-3221317-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079710-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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