SCHEMBL17952933

SCHEMBL17952933

c1cc(-c2cncc(-c3cncc(-c4cccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)c3)c2)cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 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
MAPT P10636 3/20 0.35
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
KMT2A Q03164 3/20 0.33
CYP11B2 P19099 3/20 0.33
CYP11B1 P15538 2/20 0.33
CYP1A2 P05177 1/20 0.33
METAP2 P50579 1/20 0.33
IL1R1 P14778 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
SCHEMBL17952900 1.00 L3MBTL1 (0.44) L3MBTL1KDM4EATMRAC2RAC3
SCHEMBL15159277 0.97 ATM (0.46) L3MBTL1KDM4EATMRAC2RAC3
SCHEMBL15159202 0.95 ATM (0.44) L3MBTL1KDM4EATMRAC2RAC3
SCHEMBL29362914 0.94 L3MBTL1 (0.50) L3MBTL1KDM4EATMMAPTGABRG2
SCHEMBL29358123 0.94 L3MBTL1 (0.50) L3MBTL1KDM4EATMMAPTGABRG2
SCHEMBL612234 0.94 L3MBTL1 (0.50) L3MBTL1KDM4EATMMAPTGABRG2
SCHEMBL18151976 0.94 L3MBTL1 (0.50) L3MBTL1KDM4EATMMAPTGABRG2
SCHEMBL8400383 0.94 L3MBTL1 (0.50) L3MBTL1KDM4EATMMAPTGABRG2
SCHEMBL11987839 0.92 L3MBTL1 (0.47) L3MBTL1KDM4EATMRAC2RAC3
SCHEMBL11987844 0.91 L3MBTL1 (0.49) L3MBTL1KDM4EATMMAPTGABRG2

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