SCHEMBL17623004

SCHEMBL17623004

CNO/C(C)=C/c1ncnc(NC(C)C)c1C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.32
▸ MAPK12 P53778 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PIP4K2A P48426 1/20 0.30

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
SCHEMBL16091214 0.87 AURKA (0.34) —
SCHEMBL17622758 0.85 CYP1A2 (0.33) —
SCHEMBL17623114 0.85 MAPK13 (0.31) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL16091376 0.81 KDM4E (0.32) —
SCHEMBL17622686 0.80 MAPK13 (0.31) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL16091493 0.77 — —
SCHEMBL16091227 0.77 TKT (0.32) —
SCHEMBL17623469 0.74 CHEK1 (0.30) —
SCHEMBL16091292 0.74 — —
SCHEMBL17623241 0.73 JAK2 (0.30) —

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-2016044641-A2 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 — — WO disclosed
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