SCHEMBL21393976

SCHEMBL21393976

c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4)n3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
ADORA1 P30542 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
GP6 Q9HCN6 1/20 0.36
PDK2 Q15119 5/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 4/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 3/20 0.33
GLA P06280 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL22058517 1.00 ADORA3 (0.37) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL25068726 0.99 PDK2 (0.38) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL22058219 0.99 PDK2 (0.38) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL21394265 0.99 PDK2 (0.38) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL17031664 0.99 ADORA2A (0.38) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL17031661 0.99 GP6 (0.36) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL23873847 0.99 ADORA2A (0.38) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL21394267 0.97 MEN1 (0.37) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL21393977 0.97 MEN1 (0.37) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL23697072 0.97 PDK2 (0.38) ADORA3ADORA2AADORA2BADORA1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230108986-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-04-06 US disclosed
US-20230059210-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed
US-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 US disclosed
US-11239425-B2 Organic light emitting device LG CHEM, LTD. (KR) 2022-02-01 US disclosed
WO-2020109269-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed
US-20190296243-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2019-09-26 US disclosed