SCHEMBL25459331

SCHEMBL25459331

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6cc(-c7cccc(-c8cccc9c8sc8ccccc89)c7)ccc6c45)c3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 8/20 0.47
ALOX5 P09917 1/20 0.46
LIMK1 P53667 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
HCRTR1 O43613 1/20 0.33
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
KCNH2 Q12809 1/20 0.33
BRDT Q58F21 1/20 0.33
PARP14 Q460N5 1/20 0.32
DNPH1 O43598 1/20 0.32
ESR2 Q92731 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
F9 P00740 1/20 0.32
SLC9A1 P19634 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
SCHEMBL23228112 0.99 PRKDC (0.48) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL25459328 0.98 PRKDC (0.46) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL21261182 0.98 PRKDC (0.47) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL25459237 0.96 PRKDC (0.46) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL24216611 0.96 PRKDC (0.46) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL21425337 0.95 PRKDC (0.45) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL23913830 0.95 PRKDC (0.46) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL23823998 0.95 PRKDC (0.42) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL25459254 0.95 PRKDC (0.42) PRKDCALOX5LIMK1HCRTR1MAPT
SCHEMBL24216599 0.95 PRKDC (0.48) PRKDCALOX5LIMK1PIK3CDPIK3CB

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