SCHEMBL6563627

SCHEMBL6563627

Cc1cc(C(=O)N2C3CCC2CC3)c(C)cc1C#CCNc1ccc(C(=N)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
BCL2 P10415 1/20 0.32
BECN1 Q14457 1/20 0.32
JAK1 P23458 3/20 0.31
JAK2 O60674 2/20 0.31
AAK1 Q2M2I8 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
VCP P55072 1/20 0.30
LMNA P02545 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
SCHEMBL6561938 0.87 ABL1 (0.36) DDB1CRBNJAK1
SCHEMBL6563752 0.86 GAA (0.35)
SCHEMBL6565309 0.85 PTPN11 (0.34) PTPN11DDB1CRBNAAK1
SCHEMBL6563741 0.84 AAK1 (0.35) PTPN11AAK1
SCHEMBL6563839 0.84 PLAU (0.39)
SCHEMBL6565352 0.83 PTPN11 (0.33) PTPN11AAK1
SCHEMBL6565278 0.82 PTPN11 (0.33) PTPN11AAK1
SCHEMBL6565350 0.82 HPGD (0.33) PTPN11AAK1LMNA
SCHEMBL6565305 0.81 AAK1 (0.33) PTPN11AAK1
SCHEMBL6563568 0.79 CNR2 (0.39)

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