SCHEMBL19670164

SCHEMBL19670164

CCN1CC[C@@H](C)N(C(=O)Nc2cc(F)ccn2)c2nc(-c3cccc(OC(F)(F)F)c3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ SLC5A1 P13866 15/20 0.40
▸ BRAF P15056 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ PIM1 P11309 1/20 0.36

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) GSK3BMAPK14SLC5A1IRAK4PIM1
SCHEMBL19670257 0.89 HPGDS (0.38) GSK3BMAPK14SLC5A1IRAK4PIM1
SCHEMBL19670385 0.89 MPL (0.44) GSK3BMAPK14SLC5A1IRAK4PIM1
SCHEMBL19670589 0.85 HTR2C (0.42) —
SCHEMBL19670590 0.83 IRAK4 (0.41) SLC5A1KDRIRAK4PIM1
SCHEMBL19670238 0.83 TRPA1 (0.38) BRAFKDRIRAK4PIM1
SCHEMBL19669044 0.82 GSK3B (0.42) GSK3BMAPK14SLC5A1BRAFKDR
SCHEMBL19670150 0.81 IRAK4 (0.40) GSK3BMAPK14SLC5A1IRAK4PIM1
SCHEMBL19670386 0.81 CACNA1H (0.37) BRAFKDRIRAK4
SCHEMBL19670362 0.80 IRAK4 (0.39) SLC5A1IRAK4PIM1

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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