SCHEMBL7586078

SCHEMBL7586078

Cc1ccc2c(c1)ncn2-c1cc(Cl)nc(NC(C)c2ccccc2)n1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.74
JAK2 O60674 3/20 0.50
JAK3 P52333 3/20 0.50
FGFR1 P11362 1/20 0.48
IDH1 O75874 1/20 0.48
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL7015973 1.00 LCK (0.74) LCKJAK2JAK3FGFR1IDH1
SCHEMBL7017482 0.92 LCK (0.74) LCKJAK2JAK3IDH1AURKA
SCHEMBL7017800 0.89 LCK (0.70) LCKJAK2JAK3IDH1AURKA
SCHEMBL7015965 0.85 LCK (1.00) LCKJAK2JAK3FGFR1IDH1
SCHEMBL7015912 0.84 LCK (0.69) LCKJAK2JAK3FGFR1AURKA
SCHEMBL7014492 0.81 LCK (0.67) LCKJAK2JAK3FGFR1MKNK1
SCHEMBL7015030 0.79 LCK (0.71) LCKJAK2JAK3IDH1AURKA
SCHEMBL7021040 0.78 LCK (0.64) LCKJAK2JAK3AURKAAURKB
SCHEMBL7505890 0.78 MKNK2 (0.57) LCKFGFR1MKNK1MKNK2
SCHEMBL3149082 0.78 LCK (0.66) LCKJAK2JAK3FGFR1AURKA

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