SCHEMBL7589537

SCHEMBL7589537

Cc1cccc(-c2ccc3c(c2)ncn3-c2ccnc(NC(C)c3ccccc3)n2)c1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.81
JAK2 O60674 1/20 0.62
JAK3 P52333 1/20 0.62
MKNK1 Q9BUB5 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
CAMK2D Q13557 1/20 0.47
MAPK14 Q16539 1/20 0.45
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 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
SCHEMBL7019110 1.00 LCK (0.81) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7020879 0.93 LCK (0.90) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021150 0.92 LCK (0.85) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7016498 0.90 LCK (0.83) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7015965 0.90 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7018899 0.90 LCK (0.78) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7016875 0.88 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7592779 0.88 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7019614 0.88 LCK (0.75) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7591622 0.88 LCK (0.75) 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