SCHEMBL7511562

SCHEMBL7511562

Cc1ccc2ncn(-c3cc(-c4ccccc4C)nc(NCCc4ccccc4)n3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 13/20 0.49
MKNK1 Q9BUB5 9/20 0.49
LCK P06239 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HRH1 P35367 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
SLC2A1 P11166 1/20 0.39
TP53 P04637 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
SCHEMBL7499230 0.91 MKNK2 (0.59) MKNK2MKNK1LCKHRH1HRH4
SCHEMBL7499359 0.84 MKNK2 (0.47) MKNK2MKNK1LCKNPC1RAB9A
SCHEMBL7501017 0.82 MKNK2 (0.54) MKNK2MKNK1LCKHRH1HRH4
SCHEMBL7504052 0.82 MKNK1 (0.67) MKNK2MKNK1LCKHRH4
SCHEMBL7501256 0.80 MKNK2 (0.45) MKNK2MKNK1LCKHRH1HRH4
SCHEMBL7023421 0.80 LCK (0.69) MKNK2MKNK1LCK
SCHEMBL7500919 0.80 LCK (0.54) MKNK2MKNK1LCKRAB9AHRH1
SCHEMBL7509987 0.79 LCK (0.48) MKNK2MKNK1LCK
SCHEMBL7508884 0.78 MKNK2 (0.58) MKNK2MKNK1LCK
SCHEMBL7505439 0.77 MKNK2 (0.66) MKNK2MKNK1LCK

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