SCHEMBL16712482

SCHEMBL16712482

CSc1nn(-c2ccc(F)cc2)c2cc(N3CCN(C4CCNCC4)CC3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KHK P50053 20/20 1.00

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
SCHEMBL16712471 0.93 KHK (1.00) KHK
SCHEMBL2549008 0.91 KHK (1.00) KHK
Hydrochloric Acid SCHEMBL2549673 0.90 KHK (0.98) KHK
SCHEMBL16712511 0.88 KHK (0.80) KHK
SCHEMBL16712534 0.85 KHK (1.00) KHK
SCHEMBL12239981 0.85 KHK (1.00) KHK
Hydrochloric Acid SCHEMBL2552327 0.84 KHK (0.98) KHK
SCHEMBL12239979 0.83 KHK (1.00) KHK
Hydrochloric Acid SCHEMBL2553084 0.82 KHK (0.98) KHK
SCHEMBL12239980 0.81 KHK (1.00) 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