SCHEMBL686978

SCHEMBL686978

Nc1n[nH]c(NCCCn2ccnc2)c1-c1nc2ccccc2s1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ILK Q13418 16/20 0.74
QPCT Q16769 1/20 0.60

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
SCHEMBL686480 0.85 ILK (1.00) ILKQPCT
SCHEMBL687112 0.78 ILK (0.71) ILK
SCHEMBL687229 0.78 ILK (0.64) ILK
SCHEMBL686491 0.76 ILK (0.64) ILK
SCHEMBL76506 0.76 QPCT (1.00) ILKQPCT
SCHEMBL686426 0.76 ILK (0.69) ILK
SCHEMBL687543 0.76 ILK (0.61) ILK
SCHEMBL687285 0.75 ILK (0.73) ILK
SCHEMBL686915 0.75 ILK (0.72) ILK
SCHEMBL2163407 0.72 ILK (0.73) 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 claimed