SCHEMBL7979862

SCHEMBL7979862

CCOC(=O)CC(=O)N(C1CCCC1)C1(c2ccc3c(c2)nc(Cc2ccc(C#N)cc2)c(=O)n3C)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.65
F10 P00742 10/20 0.65
PLG P00747 7/20 0.65
PRSS1 P07477 2/20 0.65
PRSS2 P07478 2/20 0.65
PRSS3 P35030 2/20 0.65
ITK Q08881 9/20 0.38
AURKA O14965 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHEK2 O96017 1/20 0.36
PRKCG P05129 1/20 0.36
PHKG2 P15735 1/20 0.36
MARK3 P27448 1/20 0.36
FLT3 P36888 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3B P49841 1/20 0.36
IRAK1 P51617 1/20 0.36
RPS6KA3 P51812 1/20 0.36

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
Hydrochloric Acid SCHEMBL7985046 0.81 F2 (0.77) F2F10PLGPRSS1PRSS2
SCHEMBL7413025 0.80 F2 (0.43) F2F10PLGPRSS1PRSS2
SCHEMBL7979859 0.80 F2 (0.48) F2F10PLGPRSS1PRSS2
SCHEMBL7985234 0.79 F2 (0.69) F2F10PLGPRSS1PRSS2
SCHEMBL7413022 0.77 F2 (0.43) F2F10PLGPRSS1PRSS2
SCHEMBL7979533 0.77 F2 (0.41) F2F10PLGPRSS1PRSS2
SCHEMBL7425127 0.77 F2 (0.48) F2F10PLGPRSS1PRSS2
SCHEMBL7426354 0.76 F2 (0.55) F2F10PLGPRSS1PRSS2
SCHEMBL8029667 0.76 ITK (0.43) F2F10PLGPRSS1PRSS2
SCHEMBL7426925 0.75 F2 (0.72) F2F10PLGPRSS1PRSS2

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
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed