SCHEMBL14743144

SCHEMBL14743144

CCN(C(N)=O)c1cc(C(N)=O)nc(Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
KDM4E B2RXH2 2/20 0.38
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
GRM2 Q14416 4/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
NQO2 P16083 5/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
SIRT6 Q8N6T7 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
SCHEMBL16505119 0.79 LMNA (0.66) LMNAKDM4EPIM1PIM3PIM2
SCHEMBL14743222 0.75 SCN9A (0.45) KDM4EKMT2AMEN1
SCHEMBL14358700 0.74 LMNA (1.00) LMNAPIM1PIM3PIM2GRM2
SCHEMBL16506027 0.74 LMNA (0.58) LMNAPIM1PIM3PIM2GRM2
SCHEMBL14754514 0.72 LMNA (0.66) LMNAKDM4EPIM1PIM3PIM2
SCHEMBL16506138 0.71 LMNA (0.50) LMNAKDM4EGRM2DPP4NQO2
SCHEMBL23715745 0.70 KDM4E (0.44) LMNAKDM4EMAPTHTTKMT2A
SCHEMBL1178392 0.70 LMNA (0.73) LMNAPIM1PIM3PIM2GRM2
SCHEMBL3659442 0.69 LMNA (0.79) LMNAPIM1PIM3PIM2GRM2
SCHEMBL16505676 0.68 LMNA (0.76) LMNAPIM1PIM3PIM2GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964639-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS Purdue Pharma LP (US) 2016-01-13 EP disclosed
WO-2014135955-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-09-12 WO disclosed
WO-2013030665-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2013-03-07 WO disclosed