SCHEMBL7825524

SCHEMBL7825524

CC(=O)NCc1cc(-n2c(C)cnc(NCCc3ccncc3)c2=O)c(N)nc1C

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 19/20 0.60
▸ PRSS1 P07477 9/20 0.60
▸ PRSS2 P07478 1/20 0.51
▸ PRSS3 P35030 1/20 0.51
▸ MASP2 O00187 1/20 0.48

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
SCHEMBL7811676 0.92 F2 (0.52) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7820059 0.92 F2 (0.51) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7819433 0.91 F2 (0.62) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7825334 0.88 F2 (0.50) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7817861 0.87 F2 (0.61) F2PRSS1PRSS2PRSS3
SCHEMBL7819935 0.86 F2 (0.46) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7847492 0.85 F2 (0.45) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7809378 0.83 F2 (0.44) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7817160 0.83 F2 (0.41) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7818207 0.82 F2 (0.47) F2PRSS1PRSS2PRSS3MASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 — — EP disclosed
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