SCHEMBL695289

SCHEMBL695289

Cc1nccc(-c2cc3c[c]ccc3[nH]2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.44
AURKB Q96GD4 2/20 0.36
AURKA O14965 1/20 0.36
DYRK1A Q13627 2/20 0.36
CDK2 P24941 2/20 0.36
DYRK1B Q9Y463 1/20 0.36
CDK5 Q00535 3/20 0.35
CDK5R1 Q15078 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.34
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
ITK Q08881 2/20 0.32
JAK2 O60674 3/20 0.31
CDC7 O00311 1/20 0.31
PLK4 O00444 1/20 0.31
MAPK13 O15264 1/20 0.31
PDPK1 O15530 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
SCHEMBL695324 0.82 CCR1 (0.46) GSK3BAURKBAURKADYRK1ACDK5
SCHEMBL695383 0.78 CCR1 (0.44) GSK3BAURKBAURKAKDM4EALDH1A1
SCHEMBL695805 0.77 MAPK1 (0.38) DYRK1ACDK5CDK5R1KDM4EALDH1A1
SCHEMBL694875 0.77 CCR1 (0.43) GSK3BAURKBAURKADYRK1AKDM4E
SCHEMBL694241 0.76 LMNA (0.49) GSK3BAURKBAURKACDK5CDK5R1
SCHEMBL4278217 0.75 METAP2 (0.40) GSK3BDYRK1ACDK5CDK5R1CLK2
SCHEMBL694760 0.73 ITK (0.38) GSK3BAURKBAURKAITKROCK2
SCHEMBL24605663 0.72 GSK3B (0.40) GSK3BAURKBAURKADYRK1ACDK2
SCHEMBL694550 0.72 HPGDS (0.44) CDK5CDK5R1KDM4EALDH1A1CDK1
SCHEMBL694442 0.71 MAPT (0.37) GSK3BAURKBAURKACDK5CDK5R1

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