SCHEMBL18814801

SCHEMBL18814801

c1cc(Nc2ccc3c(c2)SNC3)ncn1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 11/20 0.54
▸ MKNK2 Q9HBH9 2/20 0.45
▸ KDR P35968 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ GSK3A P49840 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ TAOK1 Q7L7X3 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ MPL P40238 4/20 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
SCHEMBL18797844 0.72 MKNK1 (0.59) MKNK1MKNK2EGFRERBB2GSK3A
SCHEMBL18815026 0.71 MKNK1 (0.56) MKNK1MKNK2KDREGFRERBB2
SCHEMBL18786719 0.70 MKNK1 (1.00) MKNK1MKNK2
SCHEMBL18814767 0.67 MKNK1 (0.53) MKNK1MKNK2EGFRERBB2
SCHEMBL14843891 0.67 MKNK1 (0.49) MKNK1MKNK2KDRGSK3ACDK9
SCHEMBL16144467 0.66 ALDH1A1 (0.54) MKNK1MKNK2KDREGFRERBB2
SCHEMBL4630887 0.66 GSK3A (0.53) MKNK1MKNK2KDRGSK3ACDK9
SCHEMBL18786614 0.66 MKNK1 (1.00) MKNK1MKNK2
SCHEMBL18786817 0.66 MKNK1 (1.00) MKNK1MKNK2MPL
SCHEMBL28243161 0.65 MKNK1 (0.55) MKNK1MKNK2KDREGFRERBB2

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
WO-2017075394-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (US) 2017-05-04 — — WO disclosed
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