SCHEMBL7028480

SCHEMBL7028480

Cc1ccc(C(=O)Nc2ccc3c(c2)ncn3-c2ccnc(N[C@@H](C)c3ccccc3)n2)c(C)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.73
JAK2 O60674 1/20 0.54
JAK3 P52333 1/20 0.54
MKNK1 Q9BUB5 3/20 0.47
MKNK2 Q9HBH9 3/20 0.47
MAPK14 Q16539 1/20 0.44

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
SCHEMBL7593492 1.00 LCK (0.73) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7024987 0.93 LCK (0.68) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7593900 0.91 LCK (0.73) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7022474 0.91 LCK (0.73) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7600966 0.88 LCK (0.71) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021876 0.88 LCK (0.67) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7586853 0.88 LCK (0.67) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7024476 0.88 LCK (0.71) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7014887 0.87 LCK (0.69) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7018638 0.87 LCK (0.65) 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 4 patents. 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
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