SCHEMBL6289543

SCHEMBL6289543

N=C(N)c1ccc2nc(-c3cc(O)c(O)cc3O)[nH]c2c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.76
F10 P00742 16/20 0.76
PLAU P00749 16/20 0.76
PRSS1 P07477 16/20 0.76
PLG P00747 15/20 0.76
PLAT P00750 14/20 0.76
HPN P05981 1/20 0.76
PRSS2 P07478 1/20 0.76
PRSS3 P35030 1/20 0.76
F7 P08709 1/20 0.66
F9 P00740 1/20 0.64

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
SCHEMBL4315225 0.86 F2 (1.00) F2F10PLAUPRSS1PLG
SCHEMBL5398313 0.85 PLAU (0.74) F2F10PLAUPRSS1PLG
Hydrochloric Acid SCHEMBL6355471 0.85 F2 (0.74) F2F10PLAUPRSS1PLG
SCHEMBL29941478 0.85 F10 (1.00) F2F10PLAUPRSS1PLG
SCHEMBL6061861 0.82 PLAU (0.70) F2F10PLAUPRSS1PLG
SCHEMBL14519390 0.82 PLAU (0.86) F2F10PLAUPRSS1PLG
SCHEMBL6293477 0.82 F2 (0.80) F2F10PLAUPRSS1PLG
SCHEMBL7481346 0.82 F2 (0.86) F2F10PLAUPRSS1PLG
SCHEMBL5399365 0.81 PLAU (0.66) F2F10PLAUPRSS1PLG
SCHEMBL14259709 0.81 F2 (0.71) F2F10PLAUPRSS1PLG

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 3 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 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