SCHEMBL7569558

SCHEMBL7569558

Nc1ccc2c(c1)ncn2-c1ccnc(NCCc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 14/20 0.53
MKNK2 Q9HBH9 13/20 0.53
LCK P06239 3/20 0.50
ROCK1 Q13464 1/20 0.42
BRAF P15056 1/20 0.41

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
SCHEMBL7505150 0.87 LCK (0.55) MKNK1MKNK2LCKROCK1
SCHEMBL7503814 0.87 MKNK2 (0.58) MKNK1MKNK2LCK
SCHEMBL7496686 0.86 MKNK1 (0.67) MKNK1MKNK2LCK
SCHEMBL7020600 0.86 MKNK2 (0.63) MKNK1MKNK2LCK
SCHEMBL7505347 0.84 MKNK2 (0.50) MKNK1MKNK2LCKBRAF
SCHEMBL7509733 0.82 MKNK2 (0.54) MKNK1MKNK2LCK
SCHEMBL7505860 0.82 MKNK1 (0.72) MKNK1MKNK2LCKROCK1
SCHEMBL7017711 0.80 MKNK2 (0.63) MKNK1MKNK2LCK
SCHEMBL7016932 0.80 LCK (0.72) MKNK1MKNK2LCK
SCHEMBL7017826 0.79 MKNK1 (0.67) MKNK1MKNK2LCK

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