SCHEMBL6563947

SCHEMBL6563947

CCOC(=O)CN(C(=O)NC(C)C)c1cc(Cl)c(C#CCNc2ccc(C(=N)N)cc2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
NQO2 P16083 1/20 0.32
F2 P00734 10/20 0.32
F10 P00742 6/20 0.32
F7 P08709 5/20 0.32
PRSS1 P07477 3/20 0.31
PRSS2 P07478 1/20 0.31
F3 P13726 1/20 0.31
PRSS3 P35030 1/20 0.31
HTT P42858 2/20 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
SCHEMBL6563243 0.94 ITGB3 (0.39) ITGB3ITGA2BNQO2F2F10
SCHEMBL6561987 0.90 ITGB3 (0.36) ITGB3ITGA2BF2F7
SCHEMBL6565311 0.87 ITGB3 (0.37) ITGB3ITGA2BNQO2F2F10
SCHEMBL6565342 0.84 ITGB3 (0.38) ITGB3ITGA2BF2F10F7
SCHEMBL6563515 0.82 F2 (0.36) ITGB3ITGA2BF2F10F7
SCHEMBL6563523 0.81 ITGB3 (0.37) ITGB3ITGA2BNQO2F2F10
SCHEMBL6563705 0.78 PRSS1 (0.35) ITGB3ITGA2BNQO2F2F10
SCHEMBL6563285 0.77 ITGB3 (0.39) ITGB3ITGA2BNQO2F2F10
SCHEMBL6565300 0.77 ITGB3 (0.36) ITGB3ITGA2BF2PRSS1
SCHEMBL7670888 0.76 F2 (0.38) 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 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