SCHEMBL11959436

SCHEMBL11959436

C=C1C(C#N)=C(N2CC=C(c3ccnc(C)c3)CC2)C=CN1CCCC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 2/20 0.32
▸ GRM2 Q14416 3/20 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
SCHEMBL171774 0.72 GRM2 (0.58) GRM2
SCHEMBL14865163 0.66 QDPR (0.55) WNT3A
SCHEMBL22583246 0.60 QDPR (0.50) —
SCHEMBL29435634 0.60 QDPR (0.50) —
SCHEMBL12526347 0.59 AOC3 (0.41) WNT3A
SCHEMBL20753956 0.57 JAK1 (0.52) WNT3A
SCHEMBL26157119 0.56 SIGMAR1 (0.48) —
SCHEMBL2922385 0.56 SIGMAR1 (0.47) —
Hydrochloric Acid SCHEMBL30758819 0.55 DYRK1A (0.35) WNT3A
SCHEMBL12247662 0.55 DYRK1A (0.42) —

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
EP-1994004-B1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2012-08-01 — — EP disclosed
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