SCHEMBL17952858

SCHEMBL17952858

c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cnccc2-c2ccncc2-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RPS6KA3 P51812 7/20 0.38
▸ NPY5R Q15761 1/20 0.37
▸ DYRK1A Q13627 1/20 0.36
▸ MAOA P21397 4/20 0.35
▸ MAOB P27338 4/20 0.35
▸ ACHE P22303 1/20 0.35
▸ RPS6KA2 Q15349 2/20 0.35
▸ RPS6KA1 Q15418 2/20 0.35
▸ RAC2 P15153 1/20 0.35
▸ RAC3 P60763 1/20 0.35
▸ CDC42 P60953 1/20 0.35
▸ RAC1 P63000 1/20 0.35
▸ HTR6 P50406 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ HDAC4 P56524 1/20 0.34

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
SCHEMBL17952857 1.00 KDM4E (0.42) KDM4EATML3MBTL1RPS6KA3NPY5R
SCHEMBL17952770 0.94 KDM4E (0.42) KDM4EATML3MBTL1RPS6KA3NPY5R
SCHEMBL17952776 0.94 KDM4E (0.42) KDM4EATML3MBTL1RPS6KA3NPY5R
SCHEMBL17952841 0.93 KDM4E (0.48) KDM4EATML3MBTL1RPS6KA3DYRK1A
SCHEMBL20771584 0.89 RPS6KA3 (0.40) KDM4EATML3MBTL1RPS6KA3NPY5R
SCHEMBL30709174 0.89 RPS6KA3 (0.40) KDM4EATML3MBTL1RPS6KA3NPY5R
SCHEMBL30709321 0.88 SLC22A12 (0.40) KDM4EATML3MBTL1RPS6KA3NPY5R
SCHEMBL21046123 0.88 SLC22A12 (0.40) KDM4EATML3MBTL1RPS6KA3NPY5R
SCHEMBL17952953 0.87 KDM4E (0.48) KDM4EATML3MBTL1RPS6KA3DYRK1A
SCHEMBL17952856 0.86 PIK3CA (0.46) RPS6KA3DYRK1ACYP1A2

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