SCHEMBL6290102

SCHEMBL6290102

Cc1ccc(-c2cc(C)cc(-c3cc4cc(C(=N)N)ccc4[nH]3)c2O)cc1

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.85
F10 P00742 11/20 0.85
PLG P00747 11/20 0.85
PLAU P00749 11/20 0.85
PRSS1 P07477 11/20 0.85
PLAT P00750 8/20 0.85
F7 P08709 3/20 0.64
PRSS2 P07478 2/20 0.64
PRSS3 P35030 2/20 0.64
KLKB1 P03952 1/20 0.64
F3 P13726 2/20 0.61
ASIC3 Q9UHC3 1/20 0.59
HPN P05981 6/20 0.58
ST14 Q9Y5Y6 2/20 0.57

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
SCHEMBL6292958 0.92 F2 (1.00) F2F10PLGPLAUPRSS1
SCHEMBL18845628 0.85 F2 (1.00) F2F10PLGPLAUPRSS1
SCHEMBL6290381 0.84 F2 (1.00) F2F10PLGPLAUPRSS1
SCHEMBL29941378 0.84 F2 (1.00) F2F10PLGPLAUPRSS1
SCHEMBL6292868 0.81 F2 (0.70) F2F10PLGPLAUPRSS1
SCHEMBL23752572 0.80 F2 (0.78) F2F10PLGPLAUPRSS1
SCHEMBL1325070 0.78 F2 (1.00) F2F10PLGPLAUPRSS1
SCHEMBL29682938 0.78 F2 (1.00) F2F10PLGPLAUPRSS1
SCHEMBL23752451 0.76 F2 (0.74) F2F10PLGPLAUPRSS1
SCHEMBL7876123 0.76 F2 (0.82) F2F10PLGPLAUPRSS1

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
US-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 US claimed
US-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 US disclosed
EP-1140859-A2 (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-10-10 EP disclosed
WO-2000035886-A2 (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-06-22 WO disclosed