SCHEMBL21147635

SCHEMBL21147635

Cc1ccc2nc(NC(=O)CC(C)(O)C3CCCC3)n(C3CCC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.47
RORC P51449 2/20 0.45
ALK Q9UM73 12/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
INSR P06213 2/20 0.39
LCK P06239 2/20 0.39
LTK P29376 2/20 0.39
AXL P30530 2/20 0.39
IRAK1 P51617 2/20 0.39
MAP4K2 Q12851 2/20 0.39
MERTK Q12866 2/20 0.39
NTRK1 P04629 1/20 0.39
FLT3 P36888 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
SCHEMBL21147684 0.99 EGFR (0.48) EGFRRORCALKOPRM1OPRD1
SCHEMBL17586605 0.90 EGFR (0.50) EGFRRORCALKOPRM1OPRD1
SCHEMBL17586604 0.89 EGFR (0.51) EGFRRORCALKOPRM1OPRD1
SCHEMBL17586627 0.88 EGFR (0.49) EGFRRORCALKOPRM1OPRD1
SCHEMBL30659112 0.87 ALK (0.47) EGFRALKOPRM1OPRD1OPRK1
SCHEMBL17582756 0.87 ALK (0.47) EGFRALKOPRM1OPRD1OPRK1
SCHEMBL30659155 0.86 ALK (0.48) EGFRALKOPRM1OPRD1OPRK1
SCHEMBL17582732 0.86 ALK (0.48) EGFRALKOPRM1OPRD1OPRK1
SCHEMBL17586655 0.85 EGFR (0.52) EGFRRORCALKOPRM1OPRD1
SCHEMBL17583005 0.84 ALK (0.48) EGFRALKOPRM1OPRD1OPRK1

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-3191457-B1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KNOPP BIOSCIENCES LLC (US) 2019-07-10 EP disclosed