SCHEMBL687543

SCHEMBL687543

CC(C)CCNc1[nH]nc(N)c1-c1nc2ccccc2s1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ILK Q13418 20/20 0.61

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
SCHEMBL686426 0.85 ILK (0.69) ILK
SCHEMBL687112 0.83 ILK (0.71) ILK
SCHEMBL686491 0.82 ILK (0.64) ILK
SCHEMBL686544 0.82 ILK (0.76) ILK
SCHEMBL687229 0.80 ILK (0.64) ILK
SCHEMBL687285 0.77 ILK (0.73) ILK
SCHEMBL686915 0.77 ILK (0.72) ILK
SCHEMBL686598 0.77 ILK (1.00) ILK
SCHEMBL2163407 0.76 ILK (0.73) ILK
SCHEMBL686978 0.76 ILK (0.74) 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 2 patents. 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 claimed
EP-1542997-B1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA CANADA INC (CA) 2012-02-29 EP disclosed