Sugi Predict

Sugi Predict / Compounds / SCHEMBL6563782

SCHEMBL6563782

SCHEMBL6563782

COC(=O)CNC(=O)CC(=O)N(c1cc(C)c(C#CCNc2ccc(C(=N)N)cc2)cc1C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 11/20 0.41
▸ F10 P00742 6/20 0.41
▸ PRSS1 P07477 3/20 0.36
▸ F7 P08709 12/20 0.33
▸ ITGB3 P05106 3/20 0.33
▸ ITGA2B P08514 3/20 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
SCHEMBL6561947 0.92 F10 (0.36) F2F10PRSS1F7ITGB3
SCHEMBL7675334 0.92 ITGB3 (0.38) F2F10PRSS1F7ITGB3
SCHEMBL6563086 0.91 F2 (0.39) F2F10PRSS1F7ITGB3
SCHEMBL6565187 0.87 F10 (0.34) F2F10PRSS1F7ITGB3
SCHEMBL4250003 0.86 ITGB3 (0.37) F2F10PRSS1F7ITGB3
SCHEMBL7670888 0.86 F2 (0.38) F2F10PRSS1F7ITGB3
SCHEMBL6562499 0.85 ITGB3 (0.34) F2F10PRSS1F7ITGB3
SCHEMBL6563655 0.84 F2 (0.38) F2F10PRSS1F7ITGB3
SCHEMBL6563915 0.84 ITGB3 (0.35) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6563607 0.84 ITGB3 (0.40) F2F10PRSS1F7ITGB3

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