SCHEMBL21554504

SCHEMBL21554504

Cc1c(F)ccc2c1ncn2-c1nc(OCCc2ccccn2)ncc1Cl

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 10/20 0.66
MKNK2 Q9HBH9 7/20 0.66
PDE10A Q9Y233 2/20 0.37
GRIN1 Q05586 5/20 0.35
GRIN2B Q13224 5/20 0.35
RXRA P19793 3/20 0.35
KRAS P01116 1/20 0.33
RPS6KA5 O75582 1/20 0.33
FGFR1 P11362 1/20 0.33

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
SCHEMBL21554444 0.90 MKNK1 (0.68) MKNK1MKNK2PDE10AKRASRPS6KA5
SCHEMBL21554502 0.81 MKNK1 (0.88) MKNK1MKNK2PDE10AGRIN1GRIN2B
SCHEMBL21554403 0.80 MKNK1 (0.74) MKNK1MKNK2
SCHEMBL22722391 0.79 MKNK1 (1.00) MKNK1MKNK2GRIN1GRIN2BRXRA
SCHEMBL21554500 0.73 MKNK1 (0.68) MKNK1MKNK2
SCHEMBL21554435 0.73 MKNK1 (0.51) MKNK1MKNK2PDE10AGRIN1GRIN2B
SCHEMBL22722372 0.71 MKNK1 (0.77) MKNK1MKNK2
SCHEMBL22722381 0.67 MKNK1 (1.00) MKNK1MKNK2
SCHEMBL20479141 0.66 MKNK1 (1.00) MKNK1MKNK2RPS6KA5
SCHEMBL8709301 0.62 MKNK1 (0.43) MKNK1MKNK2PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564235-A1 SUBSTITUTED AROMATIC N-HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE INTERACTING KINASE 1 (MNK1) AND 2 (MNK2) Northwestern University (US) 2019-11-06 EP disclosed