SCHEMBL6563600

SCHEMBL6563600

Cc1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1N(C(=O)CC(=O)O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 6/20 0.39
F3 P13726 6/20 0.39
F2 P00734 5/20 0.38
F10 P00742 4/20 0.38
ITGB3 P05106 9/20 0.37
ITGA2B P08514 9/20 0.37
PLG P00747 2/20 0.36
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL6563647 0.91 F7 (0.36) F7F3F2F10ITGB3
SCHEMBL6565922 0.88 F7 (0.39) F7F3F2F10ITGB3
SCHEMBL4250003 0.87 ITGB3 (0.37) F7F3F2F10ITGB3
SCHEMBL6563363 0.83 F2 (0.38) F7F3F2F10ITGB3
SCHEMBL6563596 0.82 F2 (0.35) F7F3F2F10ITGB3
SCHEMBL7674921 0.81 F7 (0.36) F7F3F2F10ITGB3
SCHEMBL6563611 0.80 ITGB3 (0.38) F7F3F2F10ITGB3
SCHEMBL7675334 0.79 ITGB3 (0.38) F7F2F10ITGB3ITGA2B
SCHEMBL6561947 0.79 F10 (0.36) F7F3F2F10ITGB3
SCHEMBL6564919 0.79 PTPN11 (0.35)

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