SCHEMBL8344153

SCHEMBL8344153

CC(C)(C)OC(=O)N(c1cccc(Cl)c1)c1ncnc(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.36
CDK1 P06493 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
XPO1 O14980 1/20 0.35
EGFR P00533 3/20 0.35
SRC P12931 1/20 0.35
LIPE Q05469 1/20 0.35
CSF1R P07333 2/20 0.34
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
PTGIR P43119 1/20 0.33
PTGDR Q13258 1/20 0.33
RORC P51449 1/20 0.33
F2 P00734 1/20 0.33
GRM5 P41594 2/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
NPC1 O15118 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
SCHEMBL8342236 0.79 GPX4 (0.39) MT-CO2NPC1ALDH1A1MAPT
SCHEMBL278961 0.76 SYK (0.39) MT-CO2NPC1ALDH1A1GAAMAPT
SCHEMBL4672209 0.74 RXRA (0.38) MT-CO2RXRARXRBRXRGXPO1
SCHEMBL8346290 0.74 GPR119 (0.39) MT-CO2NPC1ALDH1A1MAPTNPSR1
SCHEMBL3512522 0.74 KMO (0.42) XPO1CNR2RORCF2
SCHEMBL29004748 0.73 HTR3E (0.51) LIPECNR2HSD17B1HSD17B2NPC1
SCHEMBL4947246 0.73 EGFR (0.47) RXRARXRBRXRGEGFRCSF1R
SCHEMBL30455057 0.73 HTR3E (0.51) LIPECNR2HSD17B1HSD17B2NPC1
SCHEMBL1010292 0.72 MT-CO2 (0.40) MT-CO2XPO1LIPEHSD17B1HSD17B2
SCHEMBL15550751 0.72 HTR3E (0.43) MT-CO2XPO1LIPEHSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2256108-B1 SUBSTITUTED TRIAZINE KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-03-23 EP disclosed
EP-1546121-B1 SUBSTITUTED TRIAZINE KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-08-29 EP disclosed
EP-2256108-A1 Substituted triazine kinase inhibitors Janssen Pharmaceutica NV (BE) 2010-12-01 EP disclosed
US-7205298-B2 Substituted triazine kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-17 US disclosed
US-7205298-B2 Substituted triazine kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-17 US disclosed
WO-2004009562-A1 SUBSTITUTED TRIAZINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2004-01-29 WO disclosed