SCHEMBL25458331

SCHEMBL25458331

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4c(-c6ccc7c(c6)oc6c(-n8c9ccccc9c9cc(-c%10ccccc%10)ccc98)cccc67)cccc45)n3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 5/20 0.39
ALOX5 P09917 1/20 0.37
GGPS1 O95749 1/20 0.33
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PIM1 P11309 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL25458841 0.96 PRKDC (0.38) PRKDCALOX5GGPS1PIK3CDPIK3CA
SCHEMBL25926319 0.95 PRKDC (0.42) PRKDCALOX5GGPS1PIK3CDPIK3CA
SCHEMBL25926282 0.95 PRKDC (0.42) PRKDCALOX5GGPS1PIK3CDPIK3CA
SCHEMBL25954555 0.94 PRKDC (0.39) PRKDCALOX5GGPS1PIK3CDPIK3CB
SCHEMBL25458458 0.94 PRKDC (0.37) PRKDCALOX5GGPS1PIK3CDPIK3CB
SCHEMBL21668920 0.94 PRKDC (0.39) PRKDCALOX5GGPS1PIK3CDPIK3CB
SCHEMBL16442620 0.94 ALOX5 (0.41) PRKDCALOX5GGPS1PIK3CDPIK3CA
SCHEMBL25459004 0.94 PRKDC (0.39) PRKDCALOX5GGPS1
SCHEMBL25458729 0.94 PRKDC (0.38) PRKDCALOX5GGPS1PIM1CSNK2A2
SCHEMBL25458447 0.93 ALOX5 (0.38) PRKDCALOX5GGPS1PIK3CDPIK3CA

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-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed