SCHEMBL3431969

SCHEMBL3431969

CCC(O)Cc1nc(Nc2ccc(F)c(F)c2F)nn1-c1cc(C)nc(C)c1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.31

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
SCHEMBL3776117 1.00 TP53 (0.31) TP53
SCHEMBL3768259 0.91 LMNA (0.30) TP53
SCHEMBL3428599 0.91 LMNA (0.30) TP53
SCHEMBL3781782 0.90 MAPK1 (0.33) —
SCHEMBL3770357 0.84 RAPGEF4 (0.30) —
SCHEMBL3433367 0.84 RAPGEF4 (0.30) —
SCHEMBL3027946 0.76 GRIN1 (0.33) TP53
SCHEMBL3027938 0.76 GRIN1 (0.33) TP53
SCHEMBL3434426 0.76 MAPK1 (0.33) —
SCHEMBL3781770 0.76 MAPK1 (0.33) —

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
EP-2257535-A1 TRISUBSTITUTED 1, 2, 4 -TRIAZOIIES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2010-12-08 — — EP disclosed
WO-2009115547-A1 TRISUBSTITUTED 1, 2, 4 -TRIAZOIIES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-09-24 — — WO disclosed
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