SCHEMBL17952956

SCHEMBL17952956

c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cncc(-c3cncc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)c3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC4 P56524 1/20 0.39
RAC2 P15153 1/20 0.38
RAC3 P60763 1/20 0.38
CDC42 P60953 1/20 0.38
RAC1 P63000 1/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
TNKS2 Q9H2K2 1/20 0.33
NPY5R Q15761 2/20 0.33
PTGER4 P35408 1/20 0.33
CHEK1 O14757 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 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
SCHEMBL17952980 1.00 KDM4E (0.47) KDM4EATML3MBTL1HDAC4RAC2
SCHEMBL10015264 0.94 KDM4E (0.53) KDM4EATML3MBTL1HDAC4MKNK1
SCHEMBL11987834 0.94 KDM4E (0.53) KDM4EATML3MBTL1HDAC4MKNK1
SCHEMBL10015263 0.94 KDM4E (0.53) KDM4EATML3MBTL1HDAC4MKNK1
SCHEMBL613130 0.94 KDM4E (0.53) KDM4EATML3MBTL1HDAC4MKNK1
SCHEMBL11987828 0.91 L3MBTL1 (0.49) KDM4EATML3MBTL1HDAC4RAC2
SCHEMBL11981064 0.91 L3MBTL1 (0.53) KDM4EATML3MBTL1HDAC4RAC2
SCHEMBL17952803 0.89 KDM4E (0.44) KDM4EATML3MBTL1HDAC4RAC2
SCHEMBL17952804 0.89 KDM4E (0.44) KDM4EATML3MBTL1HDAC4RAC2
SCHEMBL15159202 0.89 ATM (0.44) KDM4EATML3MBTL1HDAC4RAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247771-B1 PYRIDINES AND DERIVATIVES THEREOF AS COMPONENTS FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2020-06-10 EP disclosed
US-10544361-B2 Pyridines and derivatives thereof as components for use in optoelectronic components CYNORA GMBH (DE) 2020-01-28 US disclosed
WO-2016116517-A1 PYRIDINES AND DERIVATIVES THEREOF AS COMPONENTS FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed