SCHEMBL17692018

SCHEMBL17692018

c1cc(-c2ccnc(-c3ccc4c(ccc5cc(-c6cc(-c7cccc8ncccc78)ccn6)c6ccccc6c54)c3)c2)c2cccnc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.50
ACVR1 Q04771 8/20 0.44
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
MCL1 Q07820 1/20 0.37
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
AURKA O14965 1/20 0.35
TTK P33981 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
CREBBP Q92793 1/20 0.34
CYP3A4 P08684 1/20 0.34
TGFBR1 P36897 1/20 0.34
DYRK1B Q9Y463 1/20 0.34

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
SCHEMBL17692054 0.89 ERN1 (0.46) ERN1ACVR1CA12CA1CA2
SCHEMBL17691881 0.88 ERN1 (0.58) ERN1ACVR1CA12CA1CA2
SCHEMBL17691998 0.87 ERN1 (0.57) ERN1ACVR1CA12CA1CA2
SCHEMBL17692012 0.85 TGFBR1 (0.38) TGFBR1
SCHEMBL22617911 0.83 ERN1 (0.37) ERN1ACVR1MMP1MMP9
SCHEMBL17692003 0.82 PIK3CA (0.38) TGFBR1
SCHEMBL17229063 0.82 ACVR1 (0.55) ERN1ACVR1CA12CA1CA2
SCHEMBL17691828 0.79 ERN1 (0.67) ERN1ACVR1CA12CA1CA2
SCHEMBL17692028 0.79 CYP3A4 (0.42) CYP3A4
SCHEMBL24353126 0.78 TDO2 (0.46) ERN1ACVR1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10826000-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-03 US disclosed
US-20190036043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-31 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed