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Sugi Predict / Compounds / SCHEMBL7019384

SCHEMBL7019384

SCHEMBL7019384

C[C@H](Nc1nccc(-n2cnc3cc(-c4ccnc(N(N)c5ccccc5)n4)ccc32)n1)c1ccccc1.C[C@H](Nc1nccc(-n2cnc3cc(-c4ccnc(NNc5ccccc5)n4)ccc32)n1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 13/20 0.68
▸ JAK2 O60674 1/20 0.49
▸ JAK3 P52333 1/20 0.49
▸ MKNK1 Q9BUB5 2/20 0.41
▸ MKNK2 Q9HBH9 2/20 0.41
▸ CAMK2D Q13557 2/20 0.40
▸ IDH1 O75874 1/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38

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
SCHEMBL7658941 0.94 LCK (0.77) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7658943 0.91 LCK (0.77) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7018301 0.84 LCK (0.79) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021042 0.84 LCK (0.79) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7592510 0.84 LCK (0.84) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7023829 0.84 LCK (0.84) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7591189 0.81 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7018359 0.81 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7016823 0.80 LCK (0.78) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7022093 0.80 LCK (0.77) LCKJAK2JAK3MKNK1MKNK2

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-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 — — EP disclosed