SCHEMBL20113053

SCHEMBL20113053

CCc1ccn2cc(C(F)(F)F)nc2c1C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.36
PTGS1 P23219 7/20 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
SCHEMBL20112887 0.84 PTGS2 (0.34) PTGS2PTGS1
SCHEMBL20112885 0.78 SCN5A (0.35) PTGS2PTGS1
SCHEMBL22357555 0.76 PDE4B (0.39) PTGS2PTGS1
SCHEMBL22357638 0.75 NPSR1 (0.36) PTGS2PTGS1
SCHEMBL20085817 0.72 KDM4E (0.33) PTGS2PTGS1
SCHEMBL20085824 0.72 PTGS2 (0.34) PTGS2PTGS1
SCHEMBL20085821 0.72 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL20713184 0.71 NPC1 (0.53)
SCHEMBL24080854 0.71 HCRTR2 (0.33) PTGS2
SCHEMBL2315731 0.69 TSHR (0.45)

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
WO-2018080916-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed