SCHEMBL8360265

SCHEMBL8360265

CC(C)Nc1ncc(-c2cc(N)cc(C(F)(F)F)c2)n(CC(=O)NCc2ccc(C#N)cc2)c1=O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F7 P08709 18/20 0.65
F3 P13726 7/20 0.48
PRSS1 P07477 1/20 0.44
F2 P00734 4/20 0.44
RORC P51449 1/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL6793117 0.90 F7 (0.60) F7F3PRSS1F2
SCHEMBL8360844 0.88 F7 (0.67) F7F3PRSS1F2
SCHEMBL8363577 0.87 F7 (0.73) F7F3PRSS1F2
SCHEMBL8360246 0.87 F7 (0.73) F7F3PRSS1F2
SCHEMBL8362597 0.86 F7 (0.71) F7F3PRSS1F2
SCHEMBL8363541 0.85 F7 (0.66) F7F3PRSS1F2
SCHEMBL8360173 0.85 F7 (0.71) F7F3PRSS1F2
SCHEMBL8360919 0.85 F7 (0.68) F7F3PRSS1F2
SCHEMBL8361853 0.84 F7 (0.69) F7F3PRSS1F2
SCHEMBL8361781 0.84 F7 (0.69) F7F3PRSS1F2

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
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed