SCHEMBL4067706

SCHEMBL4067706

Nc1ncc(-c2ccc(C(=O)N3C[CH]CC3)cc2)nc1-c1cc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATR Q13535 5/20 0.51
MKNK1 Q9BUB5 14/20 0.49
MKNK2 Q9HBH9 14/20 0.49
EIF4E P06730 9/20 0.49
KCNH2 Q12809 4/20 0.49

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
SCHEMBL2933369 0.87 ATR (0.67) ATRMKNK1MKNK2EIF4EKCNH2
SCHEMBL2925753 0.86 MKNK1 (0.64) ATRMKNK1MKNK2EIF4EKCNH2
SCHEMBL2931547 0.81 ATR (0.53) ATRKCNH2
SCHEMBL2933269 0.81 MKNK1 (0.50) ATRMKNK1MKNK2EIF4EKCNH2
SCHEMBL2926081 0.79 ATR (0.52) ATRMKNK1MKNK2EIF4EKCNH2
SCHEMBL14269504 0.76 MKNK1 (0.46) ATRMKNK1MKNK2EIF4EKCNH2
SCHEMBL2931317 0.74 MKNK1 (0.52) ATRMKNK1MKNK2EIF4EKCNH2
SCHEMBL2927593 0.72 ATR (0.46) ATR
SCHEMBL2928700 0.72 ATR (0.47) ATRMKNK1MKNK2
SCHEMBL2930914 0.72 ATR (0.46) ATR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 EP claimed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 WO claimed