SCHEMBL4203404

SCHEMBL4203404

N#CCC1C=CN=C(OCc2ccncc2)N1c1nc2ccccc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
MAPK9 P45984 2/20 0.36
MAPK10 P53779 2/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
RECQL P46063 1/20 0.32
MAPK8 P45983 1/20 0.32
SORD Q00796 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL4190547 0.93 MAPK9 (0.39) PTGS1PTGS2MAPK9MAPK10NPC1
Acetonitrile SCHEMBL7707450 0.91 MAPK9 (0.38) PTGS1PTGS2MAPK9MAPK10NPC1
SCHEMBL4192595 0.90 MAPK9 (0.36) PTGS1PTGS2MAPK9MAPK10NPC1
SCHEMBL4197270 0.88 PTGS1 (0.36) PTGS1PTGS2MAPK9MAPK10NPC1
SCHEMBL7707443 0.88 RAB9A (0.44) PTGS1PTGS2MAPK9MAPK10NPC1
SCHEMBL4192500 0.88 NAAA (0.42) PTGS1PTGS2MAPK9MAPK10NPC1
SCHEMBL5613992 0.87 PTGS1 (0.36) PTGS1PTGS2MAPK9MAPK10NPC1
SCHEMBL4202435 0.87 RAB9A (0.32) PTGS1PTGS2MAPK9MAPK10NPC1
SCHEMBL4197491 0.86 CYP2D6 (0.38) PTGS1PTGS2MAPK9MAPK10NPC1
SCHEMBL4197321 0.86 RAB9A (0.49) PTGS1PTGS2MAPK9MAPK10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO disclosed