SCHEMBL6563515

SCHEMBL6563515

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.36
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
F10 P00742 8/20 0.35
PRSS1 P07477 1/20 0.35
F7 P08709 3/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PGK1 P00558 1/20 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
SCHEMBL7670888 0.94 F2 (0.38) F2ITGB3ITGA2BF10PRSS1
SCHEMBL7678053 0.90 ITGB3 (0.36) F2ITGB3ITGA2BF10PRSS1
SCHEMBL6563553 0.89 F7 (0.36) F2ITGB3ITGA2BF10PRSS1
SCHEMBL6562056 0.88 MAPT (0.30) MAPTSMN1; SMN2
SCHEMBL6563086 0.88 F2 (0.39) F2ITGB3ITGA2BF10PRSS1
SCHEMBL6565394 0.87 F2 (0.36) F2ITGB3ITGA2BF10PRSS1
SCHEMBL6561873 0.86 ITGB3 (0.38) F2ITGB3ITGA2BF10PRSS1
SCHEMBL6563363 0.86 F2 (0.38) F2ITGB3ITGA2BF10PRSS1
SCHEMBL6563655 0.85 F2 (0.38) F2ITGB3ITGA2BF10PRSS1
SCHEMBL6561891 0.85 ITGB3 (0.37) F2ITGB3ITGA2BF10PRSS1

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 4 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
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed