SCHEMBL17952804

SCHEMBL17952804

c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1cncc(-c2cncc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
RAC2 P15153 1/20 0.39
RAC3 P60763 1/20 0.39
CDC42 P60953 1/20 0.39
RAC1 P63000 1/20 0.39
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CYP1A2 P05177 1/20 0.35
METAP2 P50579 1/20 0.35
LRRK2 Q5S007 1/20 0.34
CYP11B2 P19099 4/20 0.33
CYP11B1 P15538 2/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
HDAC4 P56524 1/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL17952803 1.00 KDM4E (0.44) KDM4EL3MBTL1ATMRAC2RAC3
SCHEMBL15159276 0.95 ATM (0.44) KDM4EL3MBTL1ATMRAC2RAC3
SCHEMBL20201846 0.92 KDM4E (0.48) KDM4EL3MBTL1ATMRAC2RAC3
SCHEMBL20201843 0.92 KDM4E (0.48) KDM4EL3MBTL1ATMRAC2RAC3
SCHEMBL612850 0.92 KDM4E (0.52) KDM4EL3MBTL1ATMCHRNB4CHRNA3
SCHEMBL17952933 0.89 L3MBTL1 (0.44) KDM4EL3MBTL1ATMRAC2RAC3
SCHEMBL17952900 0.89 L3MBTL1 (0.44) KDM4EL3MBTL1ATMRAC2RAC3
SCHEMBL15159275 0.89 KDM4E (0.39) KDM4EL3MBTL1ATMRAC2RAC3
SCHEMBL17952980 0.89 KDM4E (0.47) KDM4EL3MBTL1ATMRAC2RAC3
SCHEMBL17952956 0.89 KDM4E (0.47) KDM4EL3MBTL1ATMRAC2RAC3

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