SCHEMBL20037574

SCHEMBL20037574

CN(c1ccc(N)nc1)C(O)CNC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
SYK P43405 1/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
MAPKAPK2 P49137 3/20 0.35
PCSK9 Q8NBP7 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
PDPK1 O15530 1/20 0.34
EPHX2 P34913 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL18291733 0.79 PPIB (0.38) CKS1BSKP1SKP2ALOX5APFEN1
SCHEMBL1998123 0.79 CKS1B (0.53) CKS1BSKP1SKP2ALOX5APFEN1
SCHEMBL18291710 0.73 CA1 (0.38) CKS1BSKP1SKP2ALOX5APFEN1
SCHEMBL18291720 0.73 CA12 (0.36) CKS1BSKP1SKP2ALOX5APFEN1
SCHEMBL30517227 0.72 L3MBTL1 (0.52) CA1CA2
SCHEMBL1432994 0.72 L3MBTL1 (0.52) CA1CA2
SCHEMBL1097834 0.72 PAX8 (0.44)
SCHEMBL18650574 0.71 PTPRB (0.34) AAK1CA1CA2CA9MAPKAPK2
SCHEMBL22499289 0.70 CA2 (0.50) CA12CA1CA2CA9
SCHEMBL22174752 0.69 BCHE (0.46) ALOX5APFEN1CA12CA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed