SCHEMBL3834864

SCHEMBL3834864

CN1N=CN(c2ccc(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(C#N)c3)cc2)N1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 13/20 0.54
F10 P00742 4/20 0.47
F9 P00740 2/20 0.47
CARM1 Q86X55 3/20 0.47
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45

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
SCHEMBL3832713 0.84 F10 (0.68) KLKB1F10F9PRSS1PRSS2
SCHEMBL21100632 0.80 KLKB1 (0.64) KLKB1F10CARM1
SCHEMBL3831242 0.80 F10 (0.71) KLKB1F10F9CARM1PRSS1
SCHEMBL3834889 0.79 KLKB1 (0.61) KLKB1CARM1PRSS1PRSS2PRSS3
SCHEMBL3829467 0.79 KLKB1 (0.61) KLKB1F10F9CARM1PRSS1
SCHEMBL21507501 0.79 CARM1 (0.62) KLKB1CARM1PRSS1PRSS2PRSS3
SCHEMBL18604707 0.78 KLKB1 (0.66) KLKB1CARM1
SCHEMBL29826481 0.78 KLKB1 (0.66) KLKB1CARM1
SCHEMBL7410815 0.77 KLKB1 (0.55) KLKB1F10F9CARM1PRSS1
SCHEMBL17065016 0.77 KLKB1 (0.58) KLKB1CARM1PRSS1PRSS2PRSS3

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