SCHEMBL4192273

SCHEMBL4192273

N#CCC1C=CN=C(NCCO)N1c1nc2ccccc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
ILK Q13418 1/20 0.35
DPP4 P27487 3/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HTT P42858 1/20 0.32
SORD Q00796 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DPP9 Q86TI2 1/20 0.32
NPC1 O15118 5/20 0.32
RAB9A P51151 5/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 2/20 0.32
CYP1A2 P05177 2/20 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
SCHEMBL4186367 0.94 ILK (0.37) MAPK9MAPK10ILKDPP4DPP8
SCHEMBL4187924 0.90 RAB9A (0.36) DPP4KDM4EMAPK1ALDH1A1HTT
Acetonitrile SCHEMBL7707679 0.88 RAB9A (0.35) DPP4KDM4EMAPK1ALDH1A1HTT
SCHEMBL4192472 0.88 NPC1 (0.46) MAPK9MAPK10ALDH1A1NPC1RAB9A
SCHEMBL4197304 0.88 ILK (0.40) ILKKDM4EMAPK1ALDH1A1NPSR1
SCHEMBL4187935 0.87 ILK (0.38) ILKKDM4EMAPK1ALDH1A1NPC1
SCHEMBL4197422 0.87 SMN1; SMN2 (0.41) ILKKDM4EALDH1A1NPC1RAB9A
SCHEMBL7704544 0.87 ILK (0.41) ILKKDM4EALDH1A1NPC1RAB9A
SCHEMBL7706938 0.86 KMT2A (0.37) DPP4KDM4EALDH1A1HTTNPSR1
SCHEMBL6828604 0.85 IDO1 (0.37) DPP4DPP8DPP7KDM4EMAPK1

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 2 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