SCHEMBL686604

SCHEMBL686604

COc1c(F)ccc2sc(-c3c(NCCNC(C)=O)n[nH]c3N)nc12

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ILK Q13418 19/20 0.67
IKBKB O14920 1/20 0.39
CHUK O15111 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
SCHEMBL686851 0.80 ILK (1.00) ILK
SCHEMBL686780 0.77 ILK (1.00) ILK
SCHEMBL686603 0.77 ILK (0.70) ILK
SCHEMBL687641 0.64 ILK (1.00) ILK
SCHEMBL687009 0.64 ILK (1.00) ILK
SCHEMBL28902793 0.63 SMN1; SMN2 (0.53)
SCHEMBL3761940 0.63 ILK (0.55) ILK
SCHEMBL686438 0.63 ILK (1.00) ILK
SCHEMBL6279065 0.62 ILK (0.86) ILK
SCHEMBL687535 0.62 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 claimed