SCHEMBL16712528

SCHEMBL16712528

CSc1nn(-c2ccc(N)cc2)c2cc(CN3CCNCC3)ccc12

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 20/20 0.73

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
SCHEMBL16712468 0.85 KHK (1.00) KHK
SCHEMBL12239964 0.74 KHK (1.00) KHK
Hydrochloric Acid SCHEMBL2548617 0.73 KHK (0.98) KHK
SCHEMBL16712487 0.72 KHK (1.00) KHK
SCHEMBL16712543 0.71 KHK (1.00) KHK
SCHEMBL16712519 0.71 KHK (1.00) KHK
SCHEMBL16712527 0.71 KHK (1.00) KHK
SCHEMBL2550280 0.71 KHK (0.60) KHK
SCHEMBL1578113 0.71 SIGMAR1 (0.66) —
SCHEMBL2548968 0.70 KHK (0.51) KHK

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 disclosed
Send feedback