SCHEMBL7449943

SCHEMBL7449943

Cc1ccnc(Cc2nc(NCC(F)(F)c3ccccn3)c(=O)[nH]c2Cl)c1F

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.53
PRSS1 P07477 6/20 0.53
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 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
SCHEMBL6963877 0.79 F2 (0.47) F2PRSS1PRSS2PRSS3
SCHEMBL7527900 0.78 F2 (0.42) F2PRSS1PRSS2PRSS3
SCHEMBL7451773 0.78 F2 (0.61) F2PRSS1PRSS2PRSS3
SCHEMBL7409009 0.76 F2 (0.43) F2PRSS1PRSS2PRSS3
SCHEMBL7404140 0.74 F2 (0.50) F2PRSS1PRSS2PRSS3
SCHEMBL7401531 0.72 F2 (0.50) F2PRSS1PRSS2PRSS3
SCHEMBL7365971 0.71 F2 (0.54) F2PRSS1
SCHEMBL7408144 0.71 F2 (0.51) F2PRSS1PRSS2PRSS3
SCHEMBL7408227 0.70 F2 (0.46) F2PRSS1PRSS2PRSS3
SCHEMBL6960484 0.70 F2 (1.00) F2PRSS1PRSS2PRSS3

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-1189899-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 2002-03-27 EP disclosed
WO-2000075134-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-12-14 WO disclosed