SCHEMBL6563395

SCHEMBL6563395

Cc1cc(C#CCNc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)ccc1C(=O)C1CCNN1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.35
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 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
SCHEMBL6563137 0.84 KLK5 (0.37)
SCHEMBL6565533 0.81 ACACB (0.45) PTPN11DDB1CRBN
SCHEMBL6563457 0.80 ACACB (0.37) PTPN11
SCHEMBL6565417 0.79 PTPN11 (0.36) PTPN11DDB1CRBN
SCHEMBL6563526 0.79 PTPN11 (0.38) PTPN11DDB1CRBN
SCHEMBL6561879 0.79 PTPN11 (0.38) PTPN11DDB1CRBN
SCHEMBL6563299 0.79 NAMPT (0.40)
SCHEMBL6561973 0.79 JAK1 (0.38) PTPN11
SCHEMBL6565111 0.79
SCHEMBL6565215 0.77 PIK3CA (0.38) PTPN11DDB1CRBN

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