SCHEMBL19670521

SCHEMBL19670521

COc1cnc(NC(=O)N2c3nc(-c4ccnc(C)c4)ccc3N(C)CC[C@H]2C)cn1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.37
▸ SMO Q99835 1/20 0.35
▸ WNT3A P56704 6/20 0.35
▸ MAPK1 P28482 5/20 0.35
▸ JAK3 P52333 2/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ MTOR P42345 2/20 0.34
▸ HPGDS O60760 1/20 0.34

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
SCHEMBL19670515 0.90 WNT3A (0.35) ABL1WNT3AMAPK1JAK3GSK3B
SCHEMBL19670266 0.89 FGFR4 (0.41) ABL1WNT3AMAPK1GSK3BMTOR
SCHEMBL19365270 0.87 WNT3A (0.40) ABL1WNT3AMAPK1GSK3BMTOR
SCHEMBL19365654 0.85 HCRTR1 (0.44) ABL1WNT3AMAPK1
SCHEMBL19365738 0.85 FGFR4 (0.37) ABL1SMOWNT3A
SCHEMBL19365276 0.84 WNT3A (0.41) ABL1WNT3AGSK3BMTOR
SCHEMBL17618717 0.84 SMO (0.38) ABL1SMOWNT3AMAPK1JAK3
SCHEMBL19365620 0.81 HTR2C (0.43) ABL1WNT3AMAPK1
SCHEMBL19670328 0.81 DYRK1A (0.44) GSK3BMTOR
SCHEMBL19365299 0.80 FGFR4 (0.40) WNT3AMAPK1GSK3BMTORHPGDS

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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