SCHEMBL25565145

SCHEMBL25565145

N#Cc1ccc2c(c1)C1c3cc(C#N)ccc3C2c2cc(C#N)cc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PGR P06401 1/20 0.33
PTGER4 P35408 1/20 0.32
METAP2 P50579 1/20 0.31
CYP11B2 P19099 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
TDP2 O95551 1/20 0.30
XDH P47989 1/20 0.30
SLC22A12 Q96S37 1/20 0.30

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
SCHEMBL25565141 0.95 KDM4E (0.35) KDM4EATML3MBTL1PGRPTGER4
SCHEMBL25565016 0.88 KDM4E (0.34) KDM4EATML3MBTL1PGRMETAP2
SCHEMBL25565083 0.88 KDM4E (0.32) KDM4EATML3MBTL1PTGER4IRAK4
SCHEMBL25564947 0.84 PTGER4 (0.33) PTGER4
SCHEMBL25565085 0.82 PGR (0.33) KDM4EPGR
SCHEMBL17178553 0.80 KDM4E (0.46) KDM4EATML3MBTL1PGRPTGER4
SCHEMBL18792297 0.80 KDM4E (0.46) KDM4EATML3MBTL1PGRPTGER4
SCHEMBL15248233 0.80 KDM4E (0.49) KDM4EATML3MBTL1PGRPTGER4
SCHEMBL15248250 0.80 L3MBTL1 (0.49) KDM4EATML3MBTL1PGRPTGER4
SCHEMBL25119028 0.80 KDM4E (0.39) KDM4EATML3MBTL1PGRPTGER4

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-2023094412-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-01 WO disclosed