SCHEMBL8516353

SCHEMBL8516353

FC(F)(CNc1ncc(Cl)c(CCNCc2n[nH]c3ccc(Cl)cc23)n1)C1CCCCN1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.40
F10 P00742 5/20 0.40
PLAT P00750 4/20 0.40
PRSS1 P07477 4/20 0.40
PRSS2 P07478 4/20 0.40
PRSS3 P35030 4/20 0.40
CCR4 P51679 5/20 0.32
CRHR1 P34998 1/20 0.32
CCNT1 O60563 1/20 0.31
CCNK O75909 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
PLK4 O00444 1/20 0.31

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
SCHEMBL5772427 0.84 F2 (0.38) F2F10PLATPRSS1PRSS2
SCHEMBL8523803 0.78 F2 (0.38) F2F10
SCHEMBL8292352 0.77 F2 (0.43) F2F10PLATPRSS1PRSS2
SCHEMBL8519327 0.73 PIK3CA (0.39) F2
SCHEMBL5774380 0.72 ALDH1A1 (0.39) CCNT1CDK2
SCHEMBL8262579 0.72 F2 (0.40) F2F10PLATPRSS1PRSS2
SCHEMBL8515805 0.71 F2 (0.40) F2F10PRSS1PRSS2PRSS3
SCHEMBL8524852 0.69 F2 (0.37) F2PRSS1PRSS2PRSS3
SCHEMBL8524364 0.69 F2 (0.38) F2F10PRSS1PRSS2PRSS3
SCHEMBL8292393 0.69 F2 (0.40) F2F10PLATPRSS1PRSS2

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