SCHEMBL17952928

SCHEMBL17952928

c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cc(-c4ccnc(-c5ccc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)cc5)c4)ccn3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.42
SMO Q99835 2/20 0.41
PIK3CA P42336 1/20 0.41
PIM1 P11309 1/20 0.39
TGFBR1 P36897 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAP4K4 O95819 2/20 0.37
COMT P21964 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PTK2B Q14289 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MKNK1 Q9BUB5 2/20 0.36
NR3C1 P04150 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
MAPKAPK2 P49137 2/20 0.36
CDK1 P06493 1/20 0.35

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
SCHEMBL19238786 0.89 KDM4E (0.50) PIK3CAKDM4EATML3MBTL1KMT2A
SCHEMBL15034455 0.89 KDM4E (0.46) ASIC3SMOPIK3CAPIM1TGFBR1
SCHEMBL9889031 0.89 PIK3CA (0.46) PIK3CAKDM4EATML3MBTL1MAP4K4
SCHEMBL17952728 0.87 KDM4E (0.43) ASIC3SMOTGFBR1KDM4EATM
SCHEMBL17952894 0.87 KDM4E (0.43) ASIC3SMOTGFBR1KDM4EATM
SCHEMBL16855925 0.87 KDM4E (0.45) ASIC3SMOPIK3CAPIM1TGFBR1
SCHEMBL17952918 0.86 KDM4E (0.48) ASIC3SMOPIM1TGFBR1KDM4E
SCHEMBL12455148 0.86 PLA2G2A (0.37) ASIC3SMOPIK3CAPIM1TGFBR1
SCHEMBL17714898 0.85 KDM4E (0.41) SMOPIK3CAKDM4EATML3MBTL1
SCHEMBL21562723 0.85 SMO (0.35) ASIC3SMOPIK3CAPIM1TGFBR1

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