SCHEMBL6564514

SCHEMBL6564514

CCOC(=O)CCN(C(=O)c1ccc(C#CCNc2ccc(C(=N)N)cc2)cc1C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.40
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
F7 P08709 6/20 0.36
F3 P13726 5/20 0.36
F2 P00734 12/20 0.35
F10 P00742 9/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
PLG P00747 1/20 0.34
PRSS1 P07477 3/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
LTB4R Q15722 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
SCHEMBL6563059 0.89 NQO2 (0.41) NQO2ITGB3ITGA2BF7F3
SCHEMBL6565414 0.86 PTPN11 (0.33) NQO2
SCHEMBL6563366 0.81 ITGB3 (0.39) ITGB3ITGA2BF7F3F2
SCHEMBL7675036 0.81 F10 (0.42) ITGB3ITGA2BF7F3F2
SCHEMBL6565349 0.80 F2 (0.38) F7F3F2F10PLAU
SCHEMBL6563588 0.78 F2 (0.41) F7F3F2F10PLAU
SCHEMBL6563363 0.77 F2 (0.38) ITGB3ITGA2BF7F3F2
SCHEMBL7675157 0.76 ITGB3 (0.36) NQO2ITGB3ITGA2BF7F3
SCHEMBL6565505 0.76 MTOR (0.36) F7F3F2F10PLAU
SCHEMBL6563647 0.76 F7 (0.36) ITGB3ITGA2BF7F3F2

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