SCHEMBL17952923

SCHEMBL17952923

c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccncc1-c1cnccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAOA P21397 4/20 0.37
▸ MAOB P27338 4/20 0.37
▸ ACHE P22303 1/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ CYP1A2 P05177 3/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ CYP17A1 P05093 2/20 0.34
▸ RAC2 P15153 1/20 0.34
▸ RAC3 P60763 1/20 0.34
▸ CDC42 P60953 1/20 0.34
▸ RAC1 P63000 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TOP2A P11388 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ DYRK1A Q13627 1/20 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
SCHEMBL17952924 1.00 KDM4E (0.41) KDM4EATML3MBTL1MAOAMAOB
SCHEMBL17952782 0.89 IDO1 (0.37) KDM4EATML3MBTL1MAOAMAOB
SCHEMBL17952788 0.89 IDO1 (0.37) KDM4EATML3MBTL1MAOAMAOB
SCHEMBL17952974 0.88 KDM4E (0.41) KDM4EATML3MBTL1MAOAMAOB
SCHEMBL21692024 0.88 KDM4E (0.41) KDM4EATML3MBTL1MAOAMAOB
SCHEMBL23255441 0.88 KIF11 (0.39) KDM4EATML3MBTL1CYP1A2METAP2
SCHEMBL21758554 0.88 NCOA3 (0.38) ALDH1A1DYRK1A
SCHEMBL21758176 0.88 CYP19A1 (0.36) KDM4EATML3MBTL1CYP17A1
SCHEMBL21758551 0.88 NCOA3 (0.38) ALDH1A1DYRK1A
SCHEMBL23255438 0.88 KIF11 (0.39) KDM4EATML3MBTL1CYP1A2METAP2

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
Send feedback