SCHEMBL3830352

SCHEMBL3830352

Cc1cc(C(=O)Nc2ncc(-c3ccccc3S(C)(=O)=O)cn2)n(-c2cccc(C#N)c2)n1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.67
F2 P00734 6/20 0.63
PRSS1 P07477 5/20 0.63
PRSS2 P07478 5/20 0.63
PRSS3 P35030 5/20 0.63

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
SCHEMBL3833360 0.91 F10 (0.69) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830164 0.86 F10 (0.77) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830065 0.84 F2 (0.88) F10F2PRSS1PRSS2PRSS3
SCHEMBL3831577 0.83 F10 (0.80) F10F2PRSS1PRSS2PRSS3
SCHEMBL3834732 0.81 F10 (0.65) F10F2PRSS1PRSS2PRSS3
SCHEMBL3831688 0.80 PRSS1 (0.61) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3831041 0.80 F2 (0.79) F10F2PRSS1PRSS2PRSS3
SCHEMBL29457993 0.77 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8168191 0.76 F10 (0.80) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169176 0.75 F10 (1.00) F10F2PRSS1PRSS2PRSS3

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 7 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 claimed
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 claimed
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