SCHEMBL694481

SCHEMBL694481

COc1cc(-c2cc3c[c]ccc3[nH]2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
MAPT P10636 3/20 0.41
CLK1 P49759 1/20 0.41
AAK1 Q2M2I8 3/20 0.40
LRRK2 Q5S007 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
DYRK1A Q13627 1/20 0.40
KIT P10721 8/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL29583756 0.82 RAB9A (0.57) IDO1MAPTCLK1AAK1LRRK2
SCHEMBL695805 0.82 MAPK1 (0.38) MAPTDYRK1AMAPK13MAPK12MAPK11
SCHEMBL694207 0.81 LOXL2 (0.47) MAPTCLK1KITKDM4ENPC1
SCHEMBL31317843 0.76 DYRK1A (0.48) IDO1MAPTCLK1AAK1LRRK2
SCHEMBL21812358 0.76 DYRK1A (0.48) IDO1MAPTCLK1AAK1LRRK2
SCHEMBL693863 0.76 CLK1 (0.42) MAPTCLK1PKN2MAPK14KDM4E
SCHEMBL695324 0.73 CCR1 (0.46) MAPTDYRK1AKDM4ENPC1RAB9A
SCHEMBL17504882 0.73 LOX (0.44) IDO1AAK1LRRK2DYRK1A
SCHEMBL31308715 0.72 RIPK1 (0.66) CLK1
SCHEMBL21812407 0.72 CYP11B1 (0.50) MAPTAAK1DYRK1AKDM4ENPC1

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-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-3197450-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-08-02 EP disclosed
WO-2016046130-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-03-31 WO disclosed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed