SCHEMBL25965156

SCHEMBL25965156

c1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5ccccc5)cccc34)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.36
ALOX5 P09917 1/20 0.35
KDM4E B2RXH2 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIK3CD O00329 3/20 0.31
PIK3CA P42336 3/20 0.31
PIK3CB P42338 3/20 0.31
PIK3CG P48736 3/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
BRCA1 P38398 1/20 0.31
KMT2A Q03164 1/20 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

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
SCHEMBL25965153 0.96 ALOX5 (0.37) PRKDCALOX5KDM4EATML3MBTL1
SCHEMBL25965150 0.95 PRKDC (0.36) PRKDCALOX5KDM4EATML3MBTL1
SCHEMBL24164217 0.94 ALOX5 (0.38) PRKDCALOX5KDM4EATML3MBTL1
SCHEMBL25965165 0.93 PRKDC (0.34) PRKDCALOX5
SCHEMBL25965188 0.93 PRKDC (0.34) PRKDCALOX5KDM4EATML3MBTL1
SCHEMBL24216140 0.92 ALOX5 (0.38) PRKDCALOX5KDM4EPIK3CDPIK3CA
SCHEMBL22050441 0.91 ALOX5 (0.41) PRKDCALOX5KDM4EATML3MBTL1
SCHEMBL25965140 0.90 PRKDC (0.36) PRKDCALOX5KDM4EATML3MBTL1
SCHEMBL24078753 0.90 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL27444657 0.90 KDM4E (0.38) KDM4EATML3MBTL1ALDH1A1TSHR

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