SCHEMBL6565533

SCHEMBL6565533

Cc1cc(C#CCNc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.45
F10 P00742 1/20 0.38
PTPN11 Q06124 1/20 0.37
JAK1 P23458 3/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
CNR2 P34972 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
GAA P10253 1/20 0.34
HSD11B1 P28845 1/20 0.33
JAK2 O60674 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL6561973 0.93 JAK1 (0.38) ACACBPTPN11JAK1JAK2KMT2A
SCHEMBL6561810 0.92 HSD11B1 (0.40) ACACBF10PTPN11ABL1RIN1
SCHEMBL6565339 0.92 HPGD (0.39) ACACBPTPN11ABL1RIN1CNR2
SCHEMBL6563328 0.90 ACACB (0.36) ACACBF10PTPN11JAK1ABL1
SCHEMBL7674981 0.89 ABL1 (0.43) ACACBPTPN11ABL1RIN1CNR2
SCHEMBL6565215 0.88 PIK3CA (0.38) ACACBPTPN11JAK1DDB1CRBN
SCHEMBL6565093 0.88 ACACB (0.35) ACACBF10PTPN11JAK1ABL1
SCHEMBL6561938 0.88 ABL1 (0.36) ACACBF10JAK1ABL1RIN1
SCHEMBL6565417 0.88 PTPN11 (0.36) ACACBPTPN11DDB1CRBNGAA
SCHEMBL7686729 0.87 PTPN11 (0.43) ACACBPTPN11ABL1RIN1CNR2

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