SCHEMBL16712552

SCHEMBL16712552

CSc1nn(-c2ccccc2)c2cc(NC(=O)OC3CCNCC3)ccc12

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KHK P50053 20/20 0.78
KCNH2 Q12809 1/20 0.78

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
SCHEMBL2552296 0.87 KHK (1.00) KHKKCNH2
Hydrochloric Acid SCHEMBL2546813 0.87 KHK (0.98) KHKKCNH2
SCHEMBL12239967 0.85 KHK (1.00) KHKKCNH2
Hydrochloric Acid SCHEMBL2548732 0.84 KHK (0.98) KHKKCNH2
SCHEMBL12239966 0.84 KHK (1.00) KHKKCNH2
Hydrochloric Acid SCHEMBL2549653 0.83 KHK (0.98) KHKKCNH2
SCHEMBL12239965 0.81 KHK (1.00) KHKKCNH2
SCHEMBL16712518 0.81 KHK (1.00) KHKKCNH2
Hydrochloric Acid SCHEMBL2551129 0.81 KHK (0.98) KHKKCNH2
SCHEMBL2563528 0.81 KHK (1.00) KHKKCNH2

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-2560962-B1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-05-20 EP claimed