SCHEMBL7587506

SCHEMBL7587506

Cc1ccc(-c2ccc3c(c2)ncn3-c2ccnc(NC(C)c3ccccc3)n2)cc1N

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.76
JAK2 O60674 1/20 0.60
JAK3 P52333 1/20 0.60
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
IDH1 O75874 3/20 0.43

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
SCHEMBL7021804 1.00 LCK (0.76) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7590364 0.93 LCK (0.79) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7019872 0.93 LCK (0.79) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7020879 0.89 LCK (0.90) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7018189 0.89 LCK (0.82) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7016498 0.89 LCK (0.83) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021150 0.89 LCK (0.85) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7022445 0.88 LCK (0.75) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7016419 0.88 LCK (0.78) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7020633 0.88 LCK (0.84) 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 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