SCHEMBL25946455

SCHEMBL25946455

c1ccc(-c2ccc3c(c2)c2cnccc2n3-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK10 P53779 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CA P42336 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FGFR1 P11362 1/20 0.39
DYRK1A Q13627 1/20 0.38
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
ACHE P22303 1/20 0.38
DHODH Q02127 1/20 0.37
AVPR1A P37288 1/20 0.37
TNF P01375 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL10100905 0.97 MAPK10 (0.41) ATMKDM4EL3MBTL1MAPK10MKNK1
SCHEMBL15945614 0.97 KDM4E (0.44) ATMKDM4EL3MBTL1MAPK10ALDH1A1
SCHEMBL17349308 0.94 KDM4E (0.49) ATMKDM4EL3MBTL1MAPK10MKNK1
SCHEMBL12162410 0.94 MAPK10 (0.40) ATMKDM4EL3MBTL1MAPK10MKNK1
SCHEMBL24492822 0.93 MKNK1 (0.42) ATMKDM4EL3MBTL1MAPK10MKNK1
SCHEMBL15945625 0.93 CDK4 (0.43) ATMKDM4EL3MBTL1MAPK10MKNK1
SCHEMBL12168987 0.93 KDM4E (0.40) ATMKDM4EL3MBTL1MAPK10MKNK1
SCHEMBL12169022 0.93 KDM4E (0.40) ATMKDM4EL3MBTL1MAPK10MKNK1
SCHEMBL10309977 0.93 KDM4E (0.50) ATMKDM4EL3MBTL1MAPK10MEN1
SCHEMBL21481265 0.93 KDM4E (0.46) ATMKDM4EL3MBTL1MAPK10MKNK1

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-2023142486-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 WO disclosed