SCHEMBL7412684

SCHEMBL7412684

CCOC(=O)N(C(=O)NC)C(C)(C(=O)N1CCCC1)c1ccc2c(c1)nc(C(N)c1ccc(C#N)cc1)n2C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.35
F10 P00742 5/20 0.35
PLG P00747 3/20 0.35
ITK Q08881 10/20 0.32
AURKA O14965 1/20 0.32
MAP4K4 O95819 1/20 0.32
CHEK2 O96017 1/20 0.32
PRKCG P05129 1/20 0.32
PHKG2 P15735 1/20 0.32
MARK3 P27448 1/20 0.32
FLT3 P36888 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
CLK2 P49760 1/20 0.32
GSK3B P49841 1/20 0.32
IRAK1 P51617 1/20 0.32
RPS6KA3 P51812 1/20 0.32
NEK4 P51957 1/20 0.32
CSNK1G2 P78368 1/20 0.32
MAP4K2 Q12851 1/20 0.32

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
SCHEMBL7417175 0.89 F2 (0.36) F2F10PLGITKAURKA
SCHEMBL7412693 0.84 F2 (0.48) F2F10PLGKDM4ESMN1; SMN2
SCHEMBL7415299 0.82 F2 (0.41) F2F10PLGITKAURKA
SCHEMBL7096731 0.81 F2 (0.37) F2F10PLGITKALDH1A1
SCHEMBL7101549 0.81 F2 (0.38) F2F10PLGITKALDH1A1
SCHEMBL7413176 0.80 F2 (0.40) F2F10PLGITKAURKA
SCHEMBL7096708 0.79 F2 (0.40) F2F10PLGITKAURKA
SCHEMBL7414747 0.79 F2 (0.37) F2F10PLGITKAURKA
SCHEMBL7413417 0.78 F2 (0.41) F2F10PLGALDH1A1GAA
SCHEMBL7418083 0.78 F2 (0.41) F2F10PLGALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed