SCHEMBL687596

SCHEMBL687596

Cc1n[nH]c([NH])c1-c1nc2cc(F)ccc2s1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ILK Q13418 11/20 0.63
AHR P35869 1/20 0.46
F2RL3 Q96RI0 3/20 0.41
DYRK1A Q13627 3/20 0.40
APP P05067 1/20 0.39

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
SCHEMBL686453 0.84 ILK (0.70) ILKAHR
SCHEMBL6234898 0.77 ILK (1.00) ILK
SCHEMBL687684 0.73 ILK (0.70) ILKAPP
SCHEMBL10706363 0.71 APP (0.68) ILKAHRDYRK1AAPP
SCHEMBL1319670 0.69 SMN1; SMN2 (0.57) ILKAHRDYRK1A
SCHEMBL30421999 0.69 SMN1; SMN2 (0.57) ILKAHRDYRK1A
SCHEMBL686809 0.68 ILK (0.72) ILKDYRK1A
SCHEMBL686934 0.68 ILK (0.70) ILKAPP
SCHEMBL27897630 0.67 AHR (0.58) AHRDYRK1AAPP
SCHEMBL686711 0.67 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