SCHEMBL6161364

SCHEMBL6161364

N=C(N)c1ccc2[nH]c(-c3nccc4ccccc34)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.54
F2 P00734 8/20 0.54
F7 P08709 5/20 0.54
PLAU P00749 6/20 0.52
PRSS1 P07477 6/20 0.52
PLG P00747 5/20 0.52
PLAT P00750 5/20 0.52
F9 P00740 4/20 0.49
F11 P03951 3/20 0.49
HPN P05981 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
CHEK1 O14757 1/20 0.41

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
SCHEMBL29639097 0.90 F10 (0.65) F10F2F7PLAUPRSS1
SCHEMBL7399288 0.81 F10 (0.55) F10F2F7PLAUPRSS1
SCHEMBL23793430 0.81 F10 (0.52) F10F2F7PLAUPRSS1
SCHEMBL7409967 0.80 F10 (0.60) F10F2F7PLAUPRSS1
SCHEMBL7403427 0.80 F10 (0.60) F10F2F7PLAUPRSS1
Hydrochloric Acid SCHEMBL28582597 0.80 F10 (0.51) F10F2F7PLAUPRSS1
Hydrochloric Acid SCHEMBL30386854 0.80 F10 (0.51) F10F2F7PLAUPRSS1
SCHEMBL23793907 0.79 F2 (0.83) F10F2F7PLAUPRSS1
SCHEMBL147654 0.79 KDM4E (0.60)
SCHEMBL30860691 0.79 KDM4E (0.60)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0943008-B1 METAL MEDIATED SERINE PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-11-09 EP disclosed
US-6355460-B1 DETECTING ENZYME INHIBITORS; INCUBATE ENZYME WITH MODULATOR, MONITOR SAMPLE FOR REDUCTION IN ENZYME ACTIVITY, REDUCTION IN ENZYME ACTIVITY INDICATES MODULATOR AXYS PHARMACEUTICALS, INC. 2002-03-12 US disclosed
US-6255091-B1 ASSAYING FOR ENHANCED INHIBITION OF SERINE PROTEASE IN A MEDIUM THAT IS DEVOID OF DISSACIATED DIVALENT METAL CATIONS AXYS PHARMACEUTICALS, INC. 2001-07-03 US disclosed
US-6150379-A BLOOD COAGULATION FACTOR XA INHIBITORS; TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE ACTIVITY; THROMBOLYTIC AND ISCHEMIC AGENTS; E.G., 2-(6-(5-AMIDINO-1H-BENZIMIDAZOL-2-YL)-PYRID-3-YLCARBONYLAMINO)-3 -HYDROXYBUTYRIC ACID AXYS PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
EP-0943008-A1 METAL MEDIATED SERINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 1999-09-22 EP disclosed
WO-1999026941-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed
WO-1998022619-A1 METAL MEDIATED SERINE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-05-28 WO disclosed