SCHEMBL2644571

SCHEMBL2644571

CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4cnccn4)nc3cc2Oc2ccc3ccccc3c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.47
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
METAP2 P50579 1/20 0.42
CBFB Q13951 1/20 0.39

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
SCHEMBL2645659 0.94 GCK (0.51) GCKCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2645131 0.90 GCK (0.45) GCKCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2646436 0.89 GCK (0.45) GCKCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2645390 0.88 GCK (0.44) GCKCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2644602 0.88 GCK (0.48) GCKCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2645204 0.87 GCK (0.45) GCKCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2643903 0.87 GCK (0.45) GCKCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2645266 0.87 GCK (0.45) GCKCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2644349 0.87 GCK (0.46) GCKCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2644466 0.86 GCK (0.42) GCKCYP1A2CYP3A4CYP2C9CYP2C19

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