SCHEMBL19670385

SCHEMBL19670385

CCN1CC[C@@H](C)N(C(=O)Nc2ccncn2)c2nc(-c3cccc(OC(F)(F)F)c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.44
▸ FAAH O00519 2/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ PIM1 P11309 2/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ FYN P06241 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ SLC5A1 P13866 5/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ TYRO3 Q06418 1/20 0.34
▸ NAMPT P43490 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
SCHEMBL19670428 0.90 ABL1 (0.40) FAAHIRAK4PIM1GSK3BMAPK14
SCHEMBL19670257 0.89 HPGDS (0.38) IRAK4PIM1GSK3BMAPK14SLC5A1
SCHEMBL19670164 0.89 GSK3B (0.40) IRAK4PIM1GSK3BMAPK14SLC5A1
SCHEMBL19670357 0.87 MPL (0.41) MPLFAAHUSP30
SCHEMBL19670589 0.86 HTR2C (0.42) FAAHFYN
SCHEMBL19670241 0.85 GRM5 (0.38) USP30
SCHEMBL19670263 0.85 DHFR (0.37) FAAHIRAK4
SCHEMBL19670590 0.83 IRAK4 (0.41) IRAK4PIM1FYNUSP30SLC5A1
SCHEMBL19670238 0.83 TRPA1 (0.38) IRAK4PIM1FYNUSP30TRPA1
SCHEMBL17618471 0.82 MPL (0.45) MPLFAAHIRAK4GSK3BMAPK14

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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