SCHEMBL25458401

SCHEMBL25458401

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4cc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)ccc45)c3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 12/20 0.46
ALOX5 P09917 3/20 0.46
PIK3CD O00329 2/20 0.38
PIK3CB P42338 2/20 0.38
BRD4 O60885 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
KCNH2 Q12809 1/20 0.36
BRDT Q58F21 1/20 0.36
ESR2 Q92731 1/20 0.35
GGPS1 O95749 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.32
PARP14 Q460N5 1/20 0.32
DNPH1 O43598 1/20 0.32

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
SCHEMBL21261197 0.98 PRKDC (0.46) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL24217245 0.96 PRKDC (0.45) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL23913405 0.95 PRKDC (0.46) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL23228235 0.95 PRKDC (0.45) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL22760295 0.95 PRKDC (0.43) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL22760317 0.95 PRKDC (0.50) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL22240981 0.95 PRKDC (0.50) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL22880088 0.94 PRKDC (0.45) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL20871637 0.94 PRKDC (0.41) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL23913447 0.94 PRKDC (0.44) PRKDCALOX5PIK3CDPIK3CBBRD4

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