SCHEMBL19670394

SCHEMBL19670394

CCN1CCCN(C(=O)Nc2ccncn2)c2nc(-c3ccnc(C(F)(F)F)c3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ FGFR4 P22455 3/20 0.34
▸ RPS6KB1 P23443 3/20 0.34
▸ AKT1 P31749 3/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ MPL P40238 4/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ AR P10275 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ IKBKE Q14164 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ RPS6KA2 Q15349 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
SCHEMBL19670663 0.90 FGFR4 (0.40) FAAHGRIN2BFGFR4TRPV3PDE4B
SCHEMBL19670433 0.89 ALOX15 (0.36) GRIN2BFGFR4RPS6KB1TRPV3PDE4B
SCHEMBL19670569 0.89 FAAH (0.36) FAAHMPLRPS6KA2
SCHEMBL19670453 0.88 HTR2C (0.36) GRIN2BRPS6KB1AKT1TRPV3PDE4B
SCHEMBL19670530 0.87 FAAH (0.41) FAAHGRIN2BRPS6KB1AKT1TRPV3
SCHEMBL19670692 0.84 BRAF (0.38) TRPV3PDE4BBRAF
SCHEMBL12654526 0.84 MPL (0.42) FAAHMPL
SCHEMBL19670591 0.78 FGFR4 (0.42) FAAHFGFR4
SCHEMBL19365327 0.77 FAAH (0.36) FAAHFGFR4MPLRPS6KA2
SCHEMBL19670124 0.77 WNT3A (0.40) —

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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