SCHEMBL19670519

SCHEMBL19670519

COc1cc(NC(=O)N(c2nc(-c3cnccc3C)ccc2N)C2CCCCC2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 19/20 0.41
▸ ABL1 P00519 1/20 0.41

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
SCHEMBL19670526 0.88 MAP4K1 (0.41) MAP4K1ABL1
SCHEMBL19365450 0.87 HDAC1 (0.41) ABL1
SCHEMBL19670256 0.86 FGFR4 (0.36) MAP4K1ABL1
SCHEMBL19670417 0.85 MAP4K1 (0.42) MAP4K1ABL1
SCHEMBL19365497 0.85 ALOX5AP (0.40) MAP4K1ABL1
SCHEMBL19670239 0.84 MAP4K1 (0.41) MAP4K1ABL1
SCHEMBL19365308 0.83 FGFR4 (0.35) —
SCHEMBL19365305 0.83 ABL1 (0.36) MAP4K1ABL1
SCHEMBL19365454 0.83 MAP4K1 (0.37) MAP4K1ABL1
SCHEMBL19365791 0.81 FGFR4 (0.34) —

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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