SCHEMBL7102584

SCHEMBL7102584

CC(Nc1nccc(-n2cnc3cc(-c4ccc(Cl)nn4)ccc32)n1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.72
JAK2 O60674 1/20 0.58
JAK3 P52333 1/20 0.58
MKNK1 Q9BUB5 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
CDK2 P24941 1/20 0.41
IDH1 O75874 3/20 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
SCHEMBL7019590 1.00 LCK (0.72) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7014589 0.93 LCK (0.77) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7017566 0.90 LCK (0.73) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7015311 0.89 LCK (0.71) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7019394 0.88 LCK (0.70) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7022018 0.88 LCK (0.72) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021252 0.87 LCK (0.74) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7592839 0.87 LCK (0.80) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021167 0.87 LCK (0.80) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7017517 0.87 LCK (0.73) 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 1 patent. 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 claimed