SCHEMBL18167320

SCHEMBL18167320

O=C(O)Oc1c[nH]c2ncnc(Nc3ccc4[nH]c(=O)sc4c3)c12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 11/20 0.51
▸ MAPT P10636 1/20 0.40
▸ CDC7 O00311 2/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ HIPK2 Q9H2X6 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ DYRK1A Q13627 1/20 0.36
▸ ERBB2 P04626 1/20 0.35
▸ ALK Q9UM73 1/20 0.35

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
SCHEMBL15618198 0.85 MKNK1 (0.53) MKNK1MAPTCDC7ROCK2MAP4K4
SCHEMBL17026036 0.82 MKNK1 (0.57) MKNK1SYKKIF11EGFRERBB2
SCHEMBL17026139 0.82 MKNK1 (0.66) MKNK1MAPTCDC7ROCK2MAP4K4
SCHEMBL15618235 0.81 MKNK1 (0.56) MKNK1MAPTSMN1; SMN2SYKKIF11
SCHEMBL15618243 0.80 MKNK1 (0.49) MKNK1MAPTROCK2IRAK4SMN1; SMN2
SCHEMBL18167313 0.80 MKNK1 (0.53) MKNK1MAPTSMN1; SMN2SYKKIF11
SCHEMBL15618313 0.79 MKNK1 (0.62) MKNK1MAPTCDC7ROCK2MAP4K4
SCHEMBL15618203 0.78 MKNK1 (0.53) MKNK1IRAK4SYKKIF11EGFR
SCHEMBL15618350 0.75 MKNK1 (0.53) MKNK1EGFR
SCHEMBL15618290 0.74 MKNK1 (0.55) MKNK1MAPTSMN1; SMN2SYKKIF11

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-2897957-B1 SUBSTITUTED PYRROLOPYRIMIDINYLAMINO-BENZOTHIAZOLONES AS MKNK KINASE INHIBITORS Bayer Pharma AG (DE) 2016-10-26 — — EP claimed
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