SCHEMBL686964

SCHEMBL686964

COc1cc2sc(-c3c(NCCCN(C)C)n[nH]c3N)nc2cc1F

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
SCHEMBL687641 0.94 ILK (1.00) ILK
SCHEMBL686402 0.91 ILK (1.00) ILK
SCHEMBL686851 0.83 ILK (1.00) ILK
SCHEMBL680380 0.81 ILK (1.00) ILK
SCHEMBL686556 0.79 ILK (1.00) ILK
SCHEMBL686503 0.78 ILK (0.73) ILK
SCHEMBL686444 0.75 ILK (0.60) ILK
SCHEMBL680171 0.73 ILK (0.71) ILK
SCHEMBL686469 0.72 ILK (0.58) ILK
SCHEMBL687226 0.72 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