SCHEMBL7499093

SCHEMBL7499093

CCCC[Sn](CCCC)(CCCC)C1(c2ccc3ncn(-c4ccnc(N(CC)c5ccccc5)n4)c3c2)C=NN=N1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 2/20 0.37
▸ LCK P06239 6/20 0.33
▸ MKNK2 Q9HBH9 3/20 0.32
▸ MKNK1 Q9BUB5 3/20 0.32
▸ ROCK1 Q13464 1/20 0.31

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
SCHEMBL7025397 0.75 MAP3K14 (0.49) MAP3K14LCKMKNK2MKNK1ROCK1
SCHEMBL7017821 0.74 LCK (0.56) MAP3K14LCKMKNK2MKNK1ROCK1
SCHEMBL7567370 0.71 MAP3K14 (0.46) MAP3K14LCKMKNK2MKNK1ROCK1
SCHEMBL7508933 0.68 LCK (0.56) MAP3K14LCKMKNK2MKNK1ROCK1
SCHEMBL7497927 0.67 MAP3K14 (0.41) MAP3K14LCKMKNK2MKNK1ROCK1
SCHEMBL7658448 0.61 LCK (0.40) MAP3K14LCKMKNK2MKNK1ROCK1
SCHEMBL7018158 0.60 LCK (0.46) LCKMKNK2MKNK1
SCHEMBL7504836 0.59 MKNK1 (0.59) LCKMKNK2MKNK1
SCHEMBL7503109 0.58 MAPT (0.50) —
SCHEMBL7024205 0.56 LCK (0.71) MAP3K14LCKMKNK2MKNK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 — — EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 — — EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 — — WO disclosed
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