SCHEMBL25965140

SCHEMBL25965140

c1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5ccccc5)cccc34)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.36
ALOX5 P09917 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3CD O00329 3/20 0.31
PIK3CA P42336 3/20 0.31
PIK3CB P42338 3/20 0.31
PIK3CG P48736 3/20 0.31
GGPS1 O95749 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
PDE2A O00408 1/20 0.30
PIK3C2A O00443 1/20 0.30
PIK3R2 O00459 1/20 0.30
PIK3C2B O00750 1/20 0.30
BRD4 O60885 1/20 0.30
PDE5A O76074 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL25965134 0.96 ALOX5 (0.37) PRKDCALOX5KDM4EATML3MBTL1
SCHEMBL25965131 0.95 PRKDC (0.36) PRKDCALOX5KDM4EATML3MBTL1
SCHEMBL25965227 0.94 ALOX5 (0.38) PRKDCALOX5KDM4EATML3MBTL1
SCHEMBL25965172 0.93 ALOX5 (0.37) PRKDCALOX5KDM4EATML3MBTL1
SCHEMBL25965167 0.92 ALOX5 (0.37) PRKDCALOX5KDM4EATML3MBTL1
SCHEMBL24216233 0.92 ALOX5 (0.41) PRKDCALOX5KDM4EPIK3CDPIK3CA
SCHEMBL19769737 0.91 ALOX5 (0.38) PRKDCALOX5KDM4EATML3MBTL1
SCHEMBL24801439 0.91 ALOX5 (0.38) PRKDCALOX5KDM4EATML3MBTL1
SCHEMBL24914825 0.91 ALOX5 (0.41) PRKDCALOX5KDM4EATML3MBTL1
SCHEMBL17248175 0.91 ALOX5 (0.37) PRKDCALOX5KDM4EATML3MBTL1

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