SCHEMBL25964890

SCHEMBL25964890

c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRKDC P78527 4/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PARP14 Q460N5 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE3A Q14432 1/20 0.31
PDE11A Q9HCR9 1/20 0.31
LIMK1 P53667 1/20 0.30
KMT2A Q03164 1/20 0.30
IL1R1 P14778 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
SCHEMBL23039561 0.99 ALOX5 (0.39) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL23602137 0.95 ALOX5 (0.37) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL19769813 0.95 ALOX5 (0.36) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL16811575 0.95 ALOX5 (0.38) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL16811225 0.94 ALOX5 (0.39) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL16811147 0.94 ALOX5 (0.38) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL24154394 0.93 ALOX5 (0.37) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL24152644 0.92 ALOX5 (0.42) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL24152104 0.92 ALOX5 (0.36) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL23025156 0.92 ALOX5 (0.37) ALOX5KDM4EATML3MBTL1PRKDC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed