SCHEMBL25937643

SCHEMBL25937643

c1ccc(-n2c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)cc3c3ccncc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CDK4 P11802 3/20 0.41
CDK6 Q00534 3/20 0.41
DYRK1A Q13627 2/20 0.40
NPY5R Q15761 1/20 0.38
HDAC4 P56524 1/20 0.38
KCNH2 Q12809 2/20 0.37
GSK3B P49841 1/20 0.37
RAC2 P15153 1/20 0.36
RAC3 P60763 1/20 0.36
CDC42 P60953 1/20 0.36
RAC1 P63000 1/20 0.36
PTGER4 P35408 1/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL25919569 0.99 KDM4E (0.46) KDM4EATML3MBTL1CDK4CDK6
SCHEMBL15317287 0.99 KDM4E (0.49) KDM4EATML3MBTL1CDK4CDK6
SCHEMBL10309974 0.97 KDM4E (0.50) KDM4EATML3MBTL1CDK4CDK6
SCHEMBL15945678 0.96 KDM4E (0.49) KDM4EATML3MBTL1CDK4CDK6
SCHEMBL15945594 0.96 KDM4E (0.49) KDM4EATML3MBTL1CDK4CDK6
SCHEMBL25925510 0.96 KDM4E (0.49) KDM4EATML3MBTL1CDK4CDK6
SCHEMBL15945586 0.96 KDM4E (0.49) KDM4EATML3MBTL1CDK4CDK6
SCHEMBL15945677 0.96 KDM4E (0.51) KDM4EATML3MBTL1CDK4CDK6
SCHEMBL15945718 0.95 KDM4E (0.45) KDM4EATML3MBTL1CDK4CDK6
SCHEMBL21481256 0.95 KDM4E (0.45) KDM4EATML3MBTL1CDK4CDK6

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