SCHEMBL17952946

SCHEMBL17952946

c1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4ccnc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4)ccn3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.47
PIM1 P11309 1/20 0.42
SMO Q99835 2/20 0.42
CYP11B1 P15538 1/20 0.42
TGFBR1 P36897 5/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAP4K4 O95819 1/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
CDK1 P06493 1/20 0.38
MAPKAPK2 P49137 1/20 0.38

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
SCHEMBL17952976 0.86 ASIC3 (0.44) ASIC3PIM1SMOTGFBR1CYP1A2
SCHEMBL6130724 0.83 ASIC3 (0.53) ASIC3PIM1CYP11B1TGFBR1CYP1A2
SCHEMBL29854571 0.82 ASIC3 (0.61) ASIC3PIM1SMOTGFBR1MAP4K4
SCHEMBL24291931 0.82 ASIC3 (0.61) ASIC3PIM1SMOTGFBR1MAP4K4
SCHEMBL17694751 0.82 ASIC3 (0.61) ASIC3PIM1SMOTGFBR1MAP4K4
SCHEMBL21692157 0.82 ASIC3 (0.65) ASIC3PIM1SMOTGFBR1KDM4E
SCHEMBL21012595 0.81 KDM4E (0.50) CYP11B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6356563 0.81 KDM4E (0.50) CYP11B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27757723 0.81 MAPT (0.52) ASIC3PIM1SMOCYP1A2CYP3A4
SCHEMBL29578028 0.80 ASIC3 (0.63) ASIC3PIM1SMOTGFBR1KDM4E

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