SCHEMBL6563659

SCHEMBL6563659

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
F2 P00734 13/20 0.33
F10 P00742 11/20 0.33
PRSS1 P07477 5/20 0.33
F7 P08709 2/20 0.33
NQO2 P16083 1/20 0.32
KLK1 P06870 2/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
PRSS2 P07478 1/20 0.31
F3 P13726 1/20 0.31
PRSS3 P35030 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
SCHEMBL6565520 0.91 ITGB3 (0.36) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6561948 0.83 ITGB3 (0.36) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6563705 0.81 PRSS1 (0.35) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6563243 0.81 ITGB3 (0.39) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6563285 0.80 ITGB3 (0.39) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6565268 0.79 F2 (0.38) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6563607 0.79 ITGB3 (0.40) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6561682 0.79 NQO2 (0.39) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6561956 0.78 ITGB3 (0.35) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7677445 0.78 ITGB3 (0.36) ITGB3ITGA2BF2F10PRSS1

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