SCHEMBL24929930

SCHEMBL24929930

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccc(-c6cccc7c6sc6ccccc67)c6sc7ccccc7c56)cc34)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 8/20 0.42
ALOX5 P09917 1/20 0.41
LIMK1 P53667 2/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
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
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 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
SCHEMBL24928181 0.92 ALOX5 (0.38) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL26192788 0.92 PRKDC (0.45) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL21659071 0.92 PRKDC (0.47) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL26762691 0.92 PRKDC (0.37) PRKDCALOX5LIMK1KDM4EALDH1A1
SCHEMBL26215634 0.92 PRKDC (0.37) PRKDCALOX5LIMK1KDM4EALDH1A1
SCHEMBL22240864 0.92 PRKDC (0.48) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL24217337 0.92 PRKDC (0.48) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL24928187 0.92 ALOX5 (0.41) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL24264146 0.91 PRKDC (0.42) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL24929928 0.91 PRKDC (0.37) PRKDCALOX5LIMK1MMP12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023008795-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER 엘티소재주식회사 2023-02-02 WO disclosed