SCHEMBL25946458

SCHEMBL25946458

c1ccc(-c2ccc3c(c2)c2ccncc2n3-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DYRK1A Q13627 2/20 0.43
CDK4 P11802 2/20 0.42
CDK6 Q00534 2/20 0.42
KCNH2 Q12809 3/20 0.40
GSK3B P49841 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CA P42336 1/20 0.38
CYP1A2 P05177 1/20 0.38
METAP2 P50579 1/20 0.38
MAPK10 P53779 1/20 0.38
AOC3 Q16853 3/20 0.36
AVPR1A P37288 1/20 0.36
NPY5R Q15761 1/20 0.36

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
SCHEMBL15945738 0.99 CDK4 (0.43) KDM4EATML3MBTL1DYRK1ACDK4
SCHEMBL15945688 0.99 CDK4 (0.43) KDM4EATML3MBTL1DYRK1ACDK4
SCHEMBL15945680 0.98 KDM4E (0.46) KDM4EATML3MBTL1DYRK1ACDK4
SCHEMBL15945736 0.97 CDK4 (0.42) KDM4EATML3MBTL1DYRK1ACDK4
SCHEMBL11965527 0.97 CDK4 (0.42) KDM4EATML3MBTL1DYRK1ACDK4
SCHEMBL15945609 0.97 KDM4E (0.47) KDM4EATML3MBTL1DYRK1ACDK4
SCHEMBL15945750 0.96 ATM (0.41) KDM4EATML3MBTL1DYRK1ACDK4
SCHEMBL15945594 0.96 KDM4E (0.49) KDM4EATML3MBTL1DYRK1ACDK4
SCHEMBL15945586 0.96 KDM4E (0.49) KDM4EATML3MBTL1DYRK1ACDK4
SCHEMBL25925510 0.96 KDM4E (0.49) KDM4EATML3MBTL1DYRK1ACDK4

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