SCHEMBL2646791

SCHEMBL2646791

COCn1nnc(-c2ccc(Oc3cc4nc(-c5ccccn5)[nH]c4cc3C3CCCN3C(C)=O)cc2)n1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GCK P35557 20/20 0.76

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
SCHEMBL2644886 0.93 GCK (0.78) GCK
SCHEMBL2646495 0.90 GCK (0.80) GCK
SCHEMBL2645982 0.89 GCK (0.89) GCK
SCHEMBL2644252 0.86 GCK (1.00) GCK
SCHEMBL2645344 0.86 GCK (0.81) GCK
SCHEMBL2644249 0.85 GCK (0.88) GCK
SCHEMBL2645232 0.85 GCK (0.80) GCK
SCHEMBL2644033 0.85 GCK (0.69) GCK
SCHEMBL2645010 0.84 GCK (0.95) GCK
SCHEMBL2644095 0.84 GCK (0.70) GCK

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-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP disclosed