SCHEMBL3830293

SCHEMBL3830293

N#Cc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(N3CCOCC3)cc2F)c1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.65
F2 P00734 1/20 0.65
KLKB1 P03952 16/20 0.52
PLG P00747 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
F9 P00740 2/20 0.49

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
SCHEMBL3831502 0.86 F10 (0.65) F10F2KLKB1F9
SCHEMBL3830123 0.85 F10 (0.69) F10F2KLKB1PRSS1PRSS2
SCHEMBL7540360 0.84 KMT2A (0.56) F10KLKB1PLGPRSS1PRSS2
SCHEMBL3832841 0.83 KLKB1 (0.55) F10F2KLKB1PLGPRSS1
SCHEMBL31067480 0.82 KLKB1 (0.58) F10F2KLKB1PLGPRSS1
SCHEMBL31067479 0.82 KLKB1 (0.54) F10F2KLKB1PLGPRSS1
SCHEMBL18605173 0.82 KLKB1 (0.58) F10F2KLKB1PLGPRSS1
SCHEMBL17064543 0.82 KLKB1 (0.54) F10F2KLKB1PLGPRSS1
Trifluoroacetic Acid SCHEMBL3829623 0.82 F10 (0.65) F10F2KLKB1PRSS1PRSS2
SCHEMBL7412791 0.81 KLKB1 (0.48) F10F2KLKB1PLGPRSS1

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 4 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
CN-1246847-A Nitrogen containing heteroaromatics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-03-08 CN disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed