SCHEMBL1380693

SCHEMBL1380693

Cn1ccc(-c2ccccc2C(N)=O)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.53
TGFBR1 P36897 1/20 0.51
PARP1 P09874 2/20 0.49
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 4/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CSNK1A1 P48729 1/20 0.43
TYRO3 Q06418 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
DPP4 P27487 1/20 0.42
NTRK1 P04629 1/20 0.42
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL30964842 1.00 BCAT2 (0.53) BCAT2TGFBR1PARP1KMT2AKDM4E
SCHEMBL26643037 0.85 KDM4E (0.56) TGFBR1KMT2AKDM4ENPC1RAB9A
SCHEMBL16846476 0.85 KDM4C (0.48) TGFBR1PARP1KMT2AKDM4ECSNK1A1
SCHEMBL18195535 0.82 KMT2A (0.44) TGFBR1PARP1KMT2AKDM4ENTRK1
Lithium Ion SCHEMBL30644063 0.82 KMT2A (0.44) TGFBR1PARP1KMT2AKDM4ENTRK1
SCHEMBL18721493 0.81 KMT2A (0.43) TGFBR1PARP1KMT2AKDM4ENTRK1
SCHEMBL29626876 0.78 BCAT2 (0.44) BCAT2TGFBR1PARP1KDM4ECSNK1A1
SCHEMBL26643058 0.77 JMJD6 (0.56) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL28042519 0.77 BCAT2 (0.43) BCAT2TGFBR1PARP1KMT2ACSNK1A1
SCHEMBL17111766 0.75 NTRK1 (0.44) KDM4EMKNK1MKNK2NTRK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4651714-B2 2011-03-16 JP claimed
EP-1902052-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES AstraZeneca AB (SE) 2008-03-26 EP claimed
EP-1802582-A1 BENZAMIDE DERIVATIVES THAT ACT UPON THE GLUCOKINASE ENZYME. AstraZeneca AB (SE) 2007-07-04 EP claimed
EP-1756076-A1 HETROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES AstraZeneca AB (SE) 2007-02-28 EP claimed
WO-2007007041-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2007-01-18 WO claimed
WO-2006040529-A1 BENZAMIDE DERIVATIVES THAT ACT UPON THE GLUCOKINASE ENZYME ASTRAZENECA AB (SE) 2006-04-20 WO claimed
WO-2005121110-A1 HETROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2005-12-22 WO claimed
WO-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed
EP-1802582-A1 BENZAMIDE DERIVATIVES THAT ACT UPON THE GLUCOKINASE ENZYME. AstraZeneca AB (SE) 2007-07-04 EP disclosed
EP-1756076-A1 HETROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES AstraZeneca AB (SE) 2007-02-28 EP disclosed
EP-1718624-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS GLUCOKINASE ACTIVATING AGENTS AstraZeneca AB (SE) 2006-11-08 EP disclosed
WO-2006040529-A1 BENZAMIDE DERIVATIVES THAT ACT UPON THE GLUCOKINASE ENZYME ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2005121110-A1 HETROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2005-12-22 WO disclosed
WO-2005080359-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS GLUCOKINAE ACTIVATING AGENTS ASTRAZENECA AB (SE) 2005-09-01 WO disclosed