SCHEMBL12486404

SCHEMBL12486404

Nc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccc(N)cc3)[nH]2)cc1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.83
MAPK14 Q16539 11/20 0.83

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
SCHEMBL2647604 0.91 GCGR (1.00) GCGRMAPK14
SCHEMBL2662559 0.81 GCGR (1.00) GCGRMAPK14
SCHEMBL2648304 0.77 GCGR (0.76) GCGRMAPK14
SCHEMBL8322278 0.76 GCGR (0.77) GCGRMAPK14
SCHEMBL6586611 0.75 GCGR (0.86) GCGRMAPK14
SCHEMBL8680959 0.75 GCGR (0.79) GCGRMAPK14
SCHEMBL2646022 0.72 GCGR (0.71) GCGRMAPK14
SCHEMBL2647609 0.72 GCGR (0.79) GCGRMAPK14
SCHEMBL21557189 0.72 GCGR (1.00) GCGRMAPK14
SCHEMBL26135098 0.72 GCGR (0.54) GCGRMAPK14

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-2678334-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2014-01-01 EP disclosed
WO-2012116257-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2012-08-30 WO disclosed