SCHEMBL6563137

SCHEMBL6563137

Cc1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1C(=O)C1CCNN1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.37
F7 P08709 4/20 0.35
F3 P13726 3/20 0.35
F2 P00734 9/20 0.34
F10 P00742 6/20 0.34
PLG P00747 4/20 0.34
PLAU P00749 4/20 0.34
PLAT P00750 4/20 0.34
KLK1 P06870 1/20 0.34
PRSS1 P07477 5/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
TMPRSS6 Q8IU80 2/20 0.32
ST14 Q9Y5Y6 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
SCHEMBL6563395 0.84 PTPN11 (0.35)
SCHEMBL7806189 0.80 PIK3CA (0.30)
SCHEMBL6566092 0.78 KDM1A (0.41) KLK5F7F3F2F10
SCHEMBL6561958 0.78 ACACB (0.49) KLK5F7F3F2F10
SCHEMBL6561848 0.77 KDM1A (0.41) F2PLGPRSS1PRSS2PRSS3
SCHEMBL6564290 0.77 ACACB (0.39) KLK5F7F3F2F10
SCHEMBL6563277 0.76 F2 (0.41) KLK5F7F3F2F10
SCHEMBL7675036 0.76 F10 (0.42) KLK5F7F3F2F10
SCHEMBL6565886 0.76 F7 (0.35) KLK5F7F3F2F10
SCHEMBL6565512 0.76 GAA (0.40) F2F10PLAUPRSS1

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-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed