SCHEMBL6565300

SCHEMBL6565300

Cc1cc(N(CC(=O)O)C(=O)NC(C)C)c(F)cc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.36
ITGA2B P08514 4/20 0.36
F2 P00734 11/20 0.35
ALDH1A1 P00352 1/20 0.33
PRSS1 P07477 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
SCHEMBL6565342 0.92 ITGB3 (0.38) ITGB3ITGA2BF2
SCHEMBL6565311 0.90 ITGB3 (0.37) ITGB3ITGA2BF2ALDH1A1PRSS1
SCHEMBL6561987 0.86 ITGB3 (0.36) ITGB3ITGA2BF2
SCHEMBL6563243 0.82 ITGB3 (0.39) ITGB3ITGA2BF2PRSS1
SCHEMBL7674133 0.81 ITGB3 (0.36) ITGB3ITGA2BF2PRSS1
SCHEMBL7674138 0.80 PLAU (0.34) ITGB3ITGA2BF2PRSS1
SCHEMBL6565268 0.79 F2 (0.38) ITGB3ITGA2BF2PRSS1
SCHEMBL6563947 0.77 ITGB3 (0.37) ITGB3ITGA2BF2PRSS1
SCHEMBL6565394 0.76 F2 (0.36) ITGB3ITGA2BF2PRSS1
SCHEMBL4250003 0.75 ITGB3 (0.37) ITGB3ITGA2BF2PRSS1

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-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed