SCHEMBL6563523

SCHEMBL6563523

CCOC(=O)CN(C(=O)Nc1cc(Cl)c(C#CCNc2ccc(C(=N)N)cc2)cc1C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
F2 P00734 9/20 0.32
F10 P00742 8/20 0.32
F7 P08709 5/20 0.32
PRSS1 P07477 4/20 0.31
RAB9A P51151 1/20 0.31
PLAU P00749 4/20 0.31
PLAT P00750 2/20 0.31
PRSS2 P07478 1/20 0.31
F3 P13726 1/20 0.31
PRSS3 P35030 1/20 0.31
KLK1 P06870 1/20 0.31
NQO2 P16083 1/20 0.31
HPN P05981 1/20 0.31
PLG P00747 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
SCHEMBL7670894 0.93 ITGB3 (0.39) ITGB3ITGA2BF2F10F7
SCHEMBL7678059 0.90 F7 (0.35) ITGB3ITGA2BF2F10F7
SCHEMBL6563559 0.88 ITGB3 (0.36) ITGB3ITGA2BF2F10F7
SCHEMBL7671259 0.87 RAB9A (0.30) RAB9A
SCHEMBL6563366 0.86 ITGB3 (0.39) ITGB3ITGA2BF2F10F7
SCHEMBL6561894 0.86 ITGB3 (0.40) ITGB3ITGA2BF2F10F7
SCHEMBL6563089 0.86 PLAU (0.33) ITGB3ITGA2BF2F10F7
SCHEMBL6565399 0.86 ITGB3 (0.37) ITGB3ITGA2BF2F10F7
SCHEMBL6565445 0.83 ITGB3 (0.36) ITGB3ITGA2BF2F10F7
SCHEMBL4250062 0.82 ITGB3 (0.36) ITGB3ITGA2BF2F10F7

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 4 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
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed