SCHEMBL21390563

SCHEMBL21390563

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-c5cccc6c5sc5ccccc56)cccc34)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
PARP14 Q460N5 1/20 0.45
PRKDC P78527 5/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CB P42338 2/20 0.40
LIMK1 P53667 2/20 0.40
TSHR P16473 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALOX15 P16050 1/20 0.39
ADORA2B P29275 1/20 0.39
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
GPR3 P46089 1/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL23349698 1.00 ALOX5 (0.48) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL21658962 1.00 ALOX5 (0.48) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL26251436 0.97 ALOX5 (0.49) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL17232201 0.97 ALOX5 (0.50) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL15501880 0.97 ALOX5 (0.50) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL26711918 0.95 ALOX5 (0.50) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL22888574 0.94 ALOX5 (0.51) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL22547530 0.94 ALOX5 (0.51) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL24450625 0.94 ALOX5 (0.51) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL21304295 0.94 ALOX5 (0.51) ALOX5PARP14PRKDCPIK3CDPIK3CB

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
US-20190292309-A1 HIGH POLYMER, MIXTURE CONTAINING SAME, COMPOSITION, ORGANIC ELECTRONIC COMPONENT, AND MONOMER FOR POLYMERIZATION GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-09-26 US disclosed