SCHEMBL7359603

SCHEMBL7359603

CSc1ccc(C#N)s1.CSc1ccc(C(=N)N)s1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.72
PKM P14618 1/20 0.45
LIG1 P18858 1/20 0.45
C1S P09871 13/20 0.35

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
SCHEMBL5982145 0.85 PLAU (1.00) PLAUPKMLIG1C1S
Hydrochloric Acid SCHEMBL7855116 0.83 PLAU (0.96) PLAUPKMLIG1C1S
SCHEMBL6926372 0.83
Trifluoroacetic Acid SCHEMBL5223272 0.72 PLAU (0.72) PLAUPKMLIG1C1S
SCHEMBL8247302 0.66 L3MBTL1 (0.37)
SCHEMBL9436124 0.66 PLAU (0.49) PLAUPKMLIG1
SCHEMBL9436127 0.66 PLAU (0.49) PLAUPKMLIG1
SCHEMBL7205892 0.65 F2 (0.52)
SCHEMBL23553995 0.63 PLAU (0.59) PLAUPKMLIG1
SCHEMBL9373389 0.63 PKM (0.70) PLAUPKMLIG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054886-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-11-29 EP disclosed
WO-1999040088-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-08-12 WO disclosed