SCHEMBL6289508

SCHEMBL6289508

N=C(N)c1ccc2[nH]c(-c3cc(F)cc(F)c3O)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPN P05981 6/20 0.63
F2 P00734 14/20 0.62
PRSS1 P07477 13/20 0.62
F10 P00742 12/20 0.62
PLG P00747 12/20 0.62
PLAU P00749 12/20 0.62
PLAT P00750 9/20 0.62
PRSS2 P07478 3/20 0.61
PRSS3 P35030 3/20 0.61
ST14 Q9Y5Y6 3/20 0.61
ASIC3 Q9UHC3 1/20 0.59
KLKB1 P03952 1/20 0.58
F7 P08709 1/20 0.58

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
SCHEMBL18817953 0.78 HPN (1.00) HPNF2PRSS1F10PLG
SCHEMBL6689911 0.77 F7 (0.71) HPNF2PRSS1F10PLG
SCHEMBL6290117 0.77 F2 (1.00) HPNF2PRSS1F10PLG
SCHEMBL6289154 0.77 F2 (0.78) HPNF2PRSS1F10PLG
SCHEMBL4995709 0.76 F2 (1.00) HPNF2PRSS1F10PLG
SCHEMBL6290381 0.75 F2 (1.00) HPNF2PRSS1F10PLG
SCHEMBL29941378 0.75 F2 (1.00) HPNF2PRSS1F10PLG
SCHEMBL6691777 0.75 F7 (0.71) HPNF2PRSS1F10PLG
SCHEMBL6290102 0.74 F2 (0.85) HPNF2PRSS1F10PLG
SCHEMBL6289478 0.74 F2 (0.76) HPNF2PRSS1F10PLG

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