SCHEMBL687514

SCHEMBL687514

COc1ccc2nc(-c3c(NCCc4cnc[nH]4)n[nH]c3N)sc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ILK Q13418 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
SCHEMBL680380 0.84 ILK (1.00) ILK
SCHEMBL686424 0.78 ILK (0.63) ILK
SCHEMBL686412 0.73 ILK (0.80) ILK
SCHEMBL5216183 0.69 ILK (0.52) ILK
SCHEMBL687009 0.69 ILK (1.00) ILK
SCHEMBL686402 0.67 ILK (1.00) ILK
SCHEMBL686406 0.67 ILK (1.00) ILK
SCHEMBL686387 0.66 ILK (1.00) ILK
SCHEMBL13806286 0.66 APP (0.63) ILK
SCHEMBL686438 0.66 ILK (1.00) ILK

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-1542997-B1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA CANADA INC (CA) 2012-02-29 EP disclosed