SCHEMBL17952925

SCHEMBL17952925

c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cnccc2-c2ccncc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 9/20 0.40
RPS6KA2 Q15349 2/20 0.36
RPS6KA1 Q15418 2/20 0.36
CDK8 P49336 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CYP46A1 Q9Y6A2 1/20 0.33
CYP1A2 P05177 4/20 0.33
CYP2E1 P05181 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C8 P10632 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2A6 P11509 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2B6 P20813 2/20 0.33
CYP2C19 P33261 2/20 0.33
DYRK1A Q13627 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL17952784 0.95 RPS6KA3 (0.41) RPS6KA3RPS6KA2RPS6KA1CDK8MAOA
SCHEMBL19268478 0.83 NOTUM (0.42) CDK8CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17952929 0.81 MAOA (0.42) CDK8MAOAMAOBCYP1A2CYP2D6
SCHEMBL17952893 0.80 RPS6KA3 (0.38) RPS6KA3RPS6KA2RPS6KA1MAOAMAOB
SCHEMBL17952917 0.79 HPGD (0.41) RPS6KA3RPS6KA2RPS6KA1MAOAMAOB
SCHEMBL17952926 0.79 RPS6KA3 (0.44) RPS6KA3RPS6KA2RPS6KA1MAOACYP46A1
SCHEMBL27967964 0.79 CDK8 (0.43) CDK8MAOAMAOBCYP1A2CYP3A4
SCHEMBL6123854 0.79 P2RX4 (0.42) SMN1; SMN2P2RX4
SCHEMBL20308279 0.78 ALDH1A1 (0.38) CDK8CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17952722 0.78 P2RX4 (0.37) CDK8MAOAMAOBCYP1A2CYP2D6

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