SCHEMBL7501017

SCHEMBL7501017

Cc1ccccc1-c1cc(-n2cnc3cc(-c4ccncc4)ccc32)nc(NCCc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 16/20 0.54
MKNK1 Q9BUB5 14/20 0.54
LCK P06239 1/20 0.49
HRH1 P35367 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
GSK3B P49841 1/20 0.40

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
SCHEMBL7504892 0.90 MKNK2 (0.46) MKNK2MKNK1LCK
SCHEMBL7503674 0.89 MKNK2 (0.44) MKNK2MKNK1LCK
SCHEMBL7503876 0.88 MKNK2 (0.53) MKNK2MKNK1LCK
SCHEMBL7501256 0.88 MKNK2 (0.45) MKNK2MKNK1LCKHRH1HRH4
SCHEMBL7500919 0.87 LCK (0.54) MKNK2MKNK1LCKHRH1HRH4
SCHEMBL7499230 0.86 MKNK2 (0.59) MKNK2MKNK1LCKHRH1HRH4
SCHEMBL7504632 0.83 MKNK2 (0.72) MKNK2MKNK1LCK
SCHEMBL7511562 0.82 MKNK2 (0.49) MKNK2MKNK1LCKHRH1HRH4
SCHEMBL7505082 0.82 MKNK1 (0.60) MKNK2MKNK1LCKHRH4
SCHEMBL7576852 0.82 LCK (0.71) LCK

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