SCHEMBL22172011

SCHEMBL22172011

O=c1c2ccncc2n(-c2ccccc2)c2cnccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.47
DYRK1A Q13627 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
REN P00797 3/20 0.43
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.41
CDK4 P11802 2/20 0.41
CDK6 Q00534 2/20 0.41
AOC3 Q16853 2/20 0.40
ALDH1A1 P00352 1/20 0.40
FGFR1 P11362 1/20 0.40
ALOX12 P18054 1/20 0.40
GSK3B P49841 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL22172017 0.95 KDM4E (0.53) KDM4CDYRK1AKDM4EATML3MBTL1
SCHEMBL15428469 0.84 KDM4E (0.67) DYRK1AKDM4EATML3MBTL1REN
SCHEMBL18357432 0.82 CDK4 (0.49) KDM4CDYRK1AKDM4EATML3MBTL1
SCHEMBL4190441 0.78 SMN1; SMN2 (0.43) KDM4CDYRK1AKDM4ERENMAPK1
SCHEMBL22172112 0.78 MAT2A (0.41) KDM4EATML3MBTL1RENALDH1A1
SCHEMBL13866625 0.77 ATM (0.56) DYRK1AKDM4EATML3MBTL1REN
SCHEMBL15945609 0.77 KDM4E (0.47) DYRK1AKDM4EATML3MBTL1REN
SCHEMBL30927975 0.77 KDM4E (0.74) KDM4EATML3MBTL1MAPK1ALDH1A1
SCHEMBL4304114 0.77 KDM4E (0.74) KDM4EATML3MBTL1MAPK1ALDH1A1
SCHEMBL22373892 0.76 CDK4 (0.45) KDM4CDYRK1AKDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020135686-A1 ORGANIC COMPOUND WITH CARBAZOLE DERIVATIVE AS CORE AND APPLICATION THEREOF TO ORGANIC ELECTROLUMINESCENT DEVICE 江苏三月光电科技有限公司 2020-07-02 WO disclosed