SCHEMBL6565305

SCHEMBL6565305

Cc1cc(C(=O)N(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 3)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.33
PTPN11 Q06124 1/20 0.32
PTGES O14684 1/20 0.30

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
SCHEMBL6565352 0.92 PTPN11 (0.33) AAK1PTPN11
SCHEMBL6565278 0.91 PTPN11 (0.33) AAK1PTPN11
SCHEMBL6565350 0.89 HPGD (0.33) AAK1PTPN11PTGES
SCHEMBL6563741 0.87 AAK1 (0.35) AAK1PTPN11PTGES
SCHEMBL6563932 0.87 HTT (0.34) PTPN11PTGES
SCHEMBL6565309 0.86 PTPN11 (0.34) AAK1PTPN11
SCHEMBL6563093 0.84 NQO2 (0.32)
SCHEMBL6562043 0.83 PLAU (0.37)
SCHEMBL6561938 0.82 ABL1 (0.36)
SCHEMBL6565383 0.81 AAK1 (0.31) AAK1PTPN11

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