SCHEMBL6561908

SCHEMBL6561908

Cc1cc(N(C(=O)CNC(=O)OC(C)(C)C)C(C)C)c(C)cc1C#CCNc1ccc(C(=N)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.33
AAK1 Q2M2I8 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
SCHEMBL6562003 0.92 PTPN11 (0.33) PTPN11AAK1
SCHEMBL6565383 0.91 AAK1 (0.31) PTPN11AAK1
SCHEMBL6561824 0.89 MAPT (0.31) PTPN11
SCHEMBL6565327 0.88
SCHEMBL7673758 0.88
SCHEMBL6563320 0.86 AAK1 (0.30) AAK1
SCHEMBL6561937 0.86 ALDH1A1 (0.37)
SCHEMBL6563714 0.85
SCHEMBL7808378 0.84 CA1 (0.33) PTPN11AAK1
SCHEMBL6562056 0.84 MAPT (0.30)

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