SCHEMBL19670515

SCHEMBL19670515

COc1cncc(NC(=O)N2c3nc(-c4ccnc(C)c4)ccc3N(C)CC[C@H]2C)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 5/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ MAPK1 P28482 5/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ MTOR P42345 2/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ GRM2 Q14416 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
SCHEMBL19670521 0.90 ABL1 (0.37) WNT3AABL1MAPK1GSK3BMTOR
SCHEMBL19670266 0.88 FGFR4 (0.41) WNT3AABL1MAPK1GSK3BMTOR
SCHEMBL19365270 0.88 WNT3A (0.40) WNT3AABL1MAPK1GSK3BMTOR
SCHEMBL19365504 0.85 CYP11B2 (0.37) WNT3AABL1
SCHEMBL19670471 0.85 POLQ (0.35) ABL1GSK3B
SCHEMBL17618707 0.84 WNT3A (0.36) WNT3AABL1MAPK1GSK3BPIK3C3
SCHEMBL19365517 0.84 BRAF (0.40) GSK3BMTOR
SCHEMBL19365276 0.84 WNT3A (0.41) WNT3AABL1GSK3BMTOR
SCHEMBL19365654 0.83 HCRTR1 (0.44) WNT3AABL1MAPK1GRM2
SCHEMBL16754310 0.83 WNT3A (0.36) WNT3AABL1MAPK1HPGDSJAK3

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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