SCHEMBL4187935

SCHEMBL4187935

CN(C)CCNC1=NC=CC(CC#N)N1c1nc2ccccc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 2/20 0.38
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GFER P55789 1/20 0.33
LMNA P02545 1/20 0.33
SLC2A1 P11166 1/20 0.33
POLB P06746 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
RAD52 P43351 1/20 0.32

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
SCHEMBL4965923 0.95 ILK (0.35) ILKHTR1AHTR2AHTR7IRAK4
SCHEMBL4197304 0.94 ILK (0.40) ILKHTR1AHTR2AHTR7NPC1
SCHEMBL4187924 0.89 RAB9A (0.36) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
Acetonitrile SCHEMBL7707679 0.88 RAB9A (0.35) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4192273 0.87 MAPK9 (0.39) ILKNPC1RAB9AKDM4EALDH1A1
SCHEMBL4197422 0.87 SMN1; SMN2 (0.41) ILKNPC1RAB9AKDM4EALDH1A1
SCHEMBL4186367 0.86 ILK (0.37) ILKKDM4EALDH1A1LMNAPOLB
SCHEMBL4192472 0.86 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL4199489 0.85 KMT2A (0.37) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4190183 0.84 MAPT (0.40) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007505083-A 2007-03-08 JP claimed
EP-1696909-A1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES Applied Research Systems ARS Holding N.V. (AN) 2006-09-06 EP claimed
WO-2005025567-A1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 WO claimed
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