SCHEMBL17952953

SCHEMBL17952953

c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccncc2-c2cnccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ RPS6KA3 P51812 3/20 0.43
▸ DYRK1A Q13627 1/20 0.40
▸ MAOA P21397 5/20 0.40
▸ MAOB P27338 5/20 0.40
▸ ACHE P22303 1/20 0.40
▸ HTR6 P50406 1/20 0.38
▸ HDAC4 P56524 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ CYP17A1 P05093 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ RPS6KA2 Q15349 1/20 0.36
▸ RPS6KA1 Q15418 1/20 0.36
▸ TNF P01375 1/20 0.36

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
SCHEMBL17952841 0.94 KDM4E (0.48) KDM4EATML3MBTL1RPS6KA3DYRK1A
SCHEMBL17952776 0.93 KDM4E (0.42) KDM4EATML3MBTL1RPS6KA3DYRK1A
SCHEMBL17952770 0.93 KDM4E (0.42) KDM4EATML3MBTL1RPS6KA3DYRK1A
SCHEMBL17952857 0.87 KDM4E (0.42) KDM4EATML3MBTL1RPS6KA3DYRK1A
SCHEMBL17952858 0.87 KDM4E (0.42) KDM4EATML3MBTL1RPS6KA3DYRK1A
SCHEMBL17952768 0.84 PIK3CA (0.46) RPS6KA3DYRK1ACYP17A1CYP1A2TNF
SCHEMBL17321789 0.84 KDM4E (0.42) KDM4EATML3MBTL1RPS6KA3DYRK1A
SCHEMBL4570443 0.83 MAOA (0.53) KDM4EATML3MBTL1MAOAMAOB
SCHEMBL261830 0.83 KDM4E (0.52) KDM4EATML3MBTL1DYRK1AMAOA
SCHEMBL15907062 0.83 MAOA (0.53) KDM4EATML3MBTL1MAOAMAOB

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
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