SCHEMBL22919926

SCHEMBL22919926

NC1=c2c(oc3ccc(-c4ccccc4)cc23)=CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.40
PLA2G2A P14555 3/20 0.39
PLA2G4A P47712 3/20 0.39
TBK1 Q9UHD2 1/20 0.37
MAP4K4 O95819 1/20 0.36
PLA2G10 O15496 1/20 0.35
PGR P06401 1/20 0.34
JAK2 O60674 1/20 0.34
GAA P10253 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTPN1 P18031 2/20 0.33
PTPN2 P17706 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CDK9 P50750 1/20 0.32
DYRK1A Q13627 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
SCHEMBL19802939 0.81 PRKDC (0.39) PRKDCPLA2G2APLA2G4ATBK1PLA2G10
SCHEMBL23891250 0.81 NQO1 (0.41) GAAKDM4EMEN1MAPTKMT2A
SCHEMBL19803075 0.75 PRKDC (0.35) PRKDCPLA2G2APLA2G4ATBK1PLA2G10
SCHEMBL19803078 0.75 PRKDC (0.35) PRKDCPLA2G2APLA2G4ATBK1PLA2G10
SCHEMBL17570858 0.75 PLA2G2A (0.44) PRKDCPLA2G2APLA2G4ATBK1MAP4K4
SCHEMBL23893333 0.73 KDR (0.33) MAP4K4CDK9DYRK1AALDH1A1HSD17B10
SCHEMBL19802029 0.73 PLA2G2A (0.33) PRKDCPLA2G2APLA2G4ATBK1PLA2G10
SCHEMBL19802094 0.72 PLA2G2A (0.31) PRKDCPLA2G2APLA2G4ATBK1GAA
SCHEMBL19803125 0.72 PLA2G2A (0.37) PRKDCPLA2G2APLA2G4ATBK1PLA2G10
SCHEMBL1784272 0.69 PLA2G2A (0.58) PRKDCPLA2G2APLA2G4ATBK1MAP4K4

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
EP-3770166-B1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2021-10-06 EP disclosed
EP-3770166-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2021-01-27 EP disclosed