SCHEMBL17033529

SCHEMBL17033529

c1cc(-c2ccncc2)cc(-n2c3ccccc3c3cc4c(cc32)cc2c3ccccc3c3ccccc3n42)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM5 P41594 1/20 0.35
KIF11 P52732 1/20 0.34
DHFR P00374 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPK14 Q16539 2/20 0.33
NOTUM Q6P988 1/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
IMPDH2 P12268 1/20 0.32
NPY5R Q15761 1/20 0.32
MAPK9 P45984 2/20 0.32
MAPK10 P53779 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
SCHEMBL17033636 0.96 KDM4E (0.36) KDM4EATML3MBTL1GRM5KIF11
SCHEMBL16066216 0.93 KDM4E (0.36) KDM4EATML3MBTL1GRM5KIF11
SCHEMBL17033469 0.91 ATM (0.45) KDM4EATML3MBTL1PDE10AMAPT
SCHEMBL16066443 0.91 KDM4E (0.35) KDM4EATML3MBTL1GRM5KIF11
SCHEMBL16067228 0.91 KDM4E (0.35) KDM4EATML3MBTL1GRM5KIF11
SCHEMBL16066998 0.89 KDM4E (0.36) KDM4EATML3MBTL1GRM5KIF11
SCHEMBL17033527 0.88 MAPT (0.40) KDM4EATML3MBTL1GRM5DHFR
SCHEMBL17033632 0.88 ATM (0.44) KDM4EATML3MBTL1PDE10AMAPT
SCHEMBL17033486 0.87 KDM4E (0.39) KDM4EATML3MBTL1PDE10AMAPT
SCHEMBL17033805 0.86 KDM4E (0.36) KDM4EATML3MBTL1GRM5KIF11

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed