SCHEMBL22239765

SCHEMBL22239765

C[C@@H](NC(=O)c1ccc2c(n1)N(C(=O)Nc1cc(O)ccn1)C1CCN2C1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 7/20 0.33
▸ CNR2 P34972 6/20 0.33
▸ CBLB Q13191 1/20 0.33
▸ NTRK1 P04629 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ LCK P06239 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ TEK Q02763 2/20 0.32
▸ PDE2A O00408 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
SCHEMBL19714239 1.00 AXL (0.33) AXLCNR2CBLBNTRK1MAP4K1
SCHEMBL19714243 1.00 AXL (0.33) AXLCNR2CBLBNTRK1MAP4K1
SCHEMBL19714324 0.92 RPS6KA3 (0.37) —
SCHEMBL19714533 0.92 NTRK1 (0.37) AXLCNR2CBLBNTRK1MAP4K1
SCHEMBL19714017 0.92 RPS6KA3 (0.37) —
SCHEMBL19714534 0.92 NTRK1 (0.37) AXLCNR2CBLBNTRK1MAP4K1
SCHEMBL17777016 0.91 AXL (0.33) AXLCNR2CBLBNTRK1MAP4K1
SCHEMBL17770116 0.91 AXL (0.33) AXLCNR2CBLBNTRK1MAP4K1
SCHEMBL17769861 0.91 NTRK1 (0.33) AXLCNR2CBLBNTRK1MAP4K1
SCHEMBL17770122 0.91 AXL (0.33) AXLCNR2CBLBNTRK1MAP4K1

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
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
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