SCHEMBL3829580

SCHEMBL3829580

Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(C#N)c2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.52
F2 P00734 5/20 0.52
KLKB1 P03952 12/20 0.51
F9 P00740 3/20 0.45
PLG P00747 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44

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
SCHEMBL3836097 0.86 KLKB1 (0.63) F10F2KLKB1F9PRSS1
Trifluoroacetic Acid SCHEMBL3834875 0.85 F10 (0.51) F10F2KLKB1F9
Trifluoroacetic Acid SCHEMBL3829648 0.83 KLKB1 (0.62) F10F2KLKB1F9PRSS1
SCHEMBL21100632 0.81 KLKB1 (0.64) F10KLKB1
SCHEMBL17065016 0.80 KLKB1 (0.58) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL30414801 0.80 KLKB1 (0.58) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL27544240 0.80 F10 (0.62) F10F2KLKB1F9
SCHEMBL31067599 0.79 KLKB1 (0.56) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL18605064 0.79 KLKB1 (0.56) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL3831242 0.77 F10 (0.71) F10F2KLKB1F9PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO disclosed