SCHEMBL19669044

SCHEMBL19669044

O=C(Nc1cc(F)ccn1)N1c2nc(-c3cccc(OC(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ SLC5A1 P13866 11/20 0.40
▸ ABL1 P00519 2/20 0.40
▸ BRAF P15056 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ PDE4C Q08493 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37

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
SCHEMBL17618450 0.91 PDE4A (0.43) GSK3BMAPK14PDE4APDE4BPDE4D
SCHEMBL17618440 0.89 ABL1 (0.40) GSK3BMAPK14PDE4APDE4BPDE4D
SCHEMBL17618470 0.89 ABL1 (0.42) GSK3BMAPK14PDE4APDE4BPDE4D
SCHEMBL17618471 0.88 MPL (0.45) GSK3BMAPK14PDE4APDE4BPDE4D
SCHEMBL17618476 0.87 ABL1 (0.39) GSK3BMAPK14PDE4APDE4BPDE4D
SCHEMBL17618447 0.86 KIT (0.41) GSK3BMAPK14PDE4APDE4BPDE4D
SCHEMBL17618474 0.85 ABL1 (0.42) PDE4APDE4BPDE4DSLC5A1ABL1
SCHEMBL17618478 0.85 IRAK4 (0.42) GSK3BMAPK14PDE4APDE4BPDE4D
SCHEMBL17618462 0.84 ABL1 (0.41) PDE4APDE4BPDE4DABL1USP30
SCHEMBL17618467 0.84 ABL1 (0.47) PDE4APDE4BPDE4DABL1

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 2 patents. 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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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