SCHEMBL1005758

SCHEMBL1005758

N#CCC1C=CN=C(NCCc2cccnc2)N1c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
MKNK1 Q9BUB5 3/20 0.38
MKNK2 Q9HBH9 3/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 1/20 0.37
GBA1 P04062 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ILK Q13418 2/20 0.35

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
SCHEMBL7701891 0.94 MAPK8 (0.41) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL4197389 0.91 ILK (0.41) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL4192472 0.91 NPC1 (0.46) MAPK8MAPK9MAPK10NPC1RAB9A
Acetonitrile SCHEMBL7707455 0.89 ILK (0.40) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL4184088 0.86 CSNK1D (0.40) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL7704544 0.86 ILK (0.41) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL4190281 0.86 ALDH1A1 (0.40) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL4190183 0.86 MAPT (0.40) NPC1RAB9AHTTALDH1A1LMNA
SCHEMBL4192264 0.86 LMNA (0.40) NPC1RAB9AHTTALDH1A1LMNA
SCHEMBL4194901 0.85 LTA4H (0.38) MAPK8MAPK9MAPK10NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904181-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP claimed
WO-2007011762-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO claimed
EP-2791101-A1 TREATMENT OF INFLAMMATION Vascular Biogenics Ltd. (IL) 2014-10-22 EP disclosed
WO-2013088245-A1 TREATMENT OF INFLAMMATION VASCULAR BIOGENICS LTD. (IL) 2013-06-20 WO disclosed
WO-2011008996-A2 PEPTIDES WHOSE UPTAKE IN CELLS IS CONTROLLABLE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 WO disclosed
EP-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2008091925-A2 TREATMENT OF AORTIC DISSECTION OR ANEURYSM COOK INCORPORATED (US) 2008-07-31 WO disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed
EP-1450792-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA Applied Research Systems ARS Holding N.V. (AN) 2004-09-01 EP disclosed
WO-2003047570-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-06-12 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