SCHEMBL25459234

SCHEMBL25459234

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(-c7ccc(-c8cccc9c8sc8ccccc89)cc7)ccc6c45)n3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 8/20 0.44
ALOX5 P09917 1/20 0.43
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
F9 P00740 1/20 0.33
SLC9A1 P19634 1/20 0.33
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
KCNH2 Q12809 1/20 0.32
BRDT Q58F21 1/20 0.32
LIMK1 P53667 4/20 0.32
PARP14 Q460N5 1/20 0.32
ESR2 Q92731 1/20 0.31
PIM3 Q86V86 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
SCHEMBL25459237 0.97 PRKDC (0.46) PRKDCALOX5PIK3CDPIK3CBMAPT
SCHEMBL24216611 0.97 PRKDC (0.46) PRKDCALOX5PIK3CDPIK3CBMAPT
SCHEMBL25627732 0.97 PRKDC (0.43) PRKDCALOX5PIK3CDPIK3CBF9
SCHEMBL25627730 0.97 PRKDC (0.43) PRKDCALOX5PIK3CDPIK3CBF9
SCHEMBL24216461 0.97 PRKDC (0.47) PRKDCALOX5PIK3CDPIK3CBF9
SCHEMBL21425337 0.96 PRKDC (0.45) PRKDCALOX5PIK3CDPIK3CBMAPT
SCHEMBL25459172 0.96 PRKDC (0.40) PRKDCALOX5PIK3CDPIK3CBMAPT
SCHEMBL24216599 0.96 PRKDC (0.48) PRKDCALOX5PIK3CDPIK3CBF9
SCHEMBL22248485 0.95 PRKDC (0.41) PRKDCALOX5PIK3CDPIK3CBF9
SCHEMBL25459183 0.95 PRKDC (0.39) PRKDCALOX5F9SLC9A1MAPT

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