SCHEMBL8524364

SCHEMBL8524364

N#Cc1cnc(NCC(F)(F)c2ccccn2)nc1CCNCc1n[nH]c2ccc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.38
PRSS1 P07477 2/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
F10 P00742 2/20 0.32

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
SCHEMBL8523803 0.90 F2 (0.38) F2F10
SCHEMBL8515805 0.89 F2 (0.40) F2PRSS1PRSS2PRSS3F10
SCHEMBL8524852 0.81 F2 (0.37) F2PRSS1PRSS2PRSS3
SCHEMBL8517902 0.77 F2 (0.40) F2F10
SCHEMBL8519327 0.74 PIK3CA (0.39) F2
SCHEMBL8292389 0.74 F2 (0.54) F2PRSS1
SCHEMBL8516353 0.69 F2 (0.40) F2PRSS1PRSS2PRSS3F10
SCHEMBL5772427 0.64 F2 (0.38) F2PRSS1PRSS2PRSS3F10
SCHEMBL8294078 0.61 F2 (0.48) F2
SCHEMBL14508582 0.61 F2 (0.58) F2PRSS1

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-1674464-A1 Novel thrombin inhibitors Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2006-06-28 EP disclosed