SCHEMBL26399504

SCHEMBL26399504

CNc1n[nH]c2ccc(OC(C)C)cc12

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 18/20 0.46
GSK3B P49841 1/20 0.46
FADS1 O60427 1/20 0.43

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
SCHEMBL28000228 0.82 PDE3B (0.44) GSK3BFADS1
SCHEMBL5583100 0.81 HDAC6 (0.43) LRRK2GSK3B
SCHEMBL2661165 0.80 BTK (0.51) LRRK2
SCHEMBL23867179 0.80 LRRK2 (0.51) LRRK2
SCHEMBL26399495 0.79 TTK (0.59) LRRK2FADS1
SCHEMBL16011905 0.78 LRRK2 (0.47) LRRK2
SCHEMBL26133172 0.78 LRRK2 (0.47) LRRK2
SCHEMBL2660492 0.77 GRM4 (0.51) LRRK2FADS1
SCHEMBL26399519 0.77 TTK (0.47) FADS1
SCHEMBL24638445 0.76 PRKAG1 (0.46) LRRK2GSK3B

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
WO-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 WO disclosed