SCHEMBL23542850

SCHEMBL23542850

Cc1ccc(-c2sc(C#CCCN3CCOCC3)cc2-c2ccncc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.82
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ GSK3B P49841 2/20 0.37
▸ NFATC1 O95644 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HRH3 Q9Y5N1 4/20 0.36
▸ KIT P10721 2/20 0.36
▸ FLT3 P36888 2/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL17552018 0.90 MAPK14 (1.00) MAPK14
SCHEMBL23542859 0.80 MAPK14 (0.78) MAPK14
SCHEMBL23542856 0.78 MAPK14 (0.77) MAPK14
SCHEMBL19367800 0.71 MAPK14 (0.80) MAPK14
SCHEMBL17542505 0.69 MAPK14 (1.00) MAPK14
SCHEMBL23542852 0.68 MAPK14 (0.75) MAPK14
SCHEMBL19367817 0.68 MAPK14 (0.79) MAPK14
SCHEMBL17542518 0.67 MAPK14 (1.00) MAPK14
SCHEMBL17542539 0.66 MAPK14 (0.67) MAPK14
SCHEMBL24228078 0.61 MAPK14 (0.43) MAPK14ALDH1A1HRH3

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-3186245-B1 MAPK INHIBITORS EverBrilliant Pharma Pty Ltd (AU) 2021-06-23 — — EP disclosed
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