SCHEMBL7587154

SCHEMBL7587154

COc1ccc(OC)c(C(=O)Nc2ccc3c(c2)ncn3-c2ccnc(NC(C)c3ccccc3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.61
JAK2 O60674 1/20 0.51
JAK3 P52333 1/20 0.51
AKR1C3 P42330 1/20 0.44
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
ADRA2B P18089 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL7024412 1.00 LCK (0.61) LCKJAK2JAK3AKR1C3MKNK1
SCHEMBL7019607 0.94 LCK (0.59) LCKJAK2JAK3AKR1C3MKNK1
SCHEMBL7555341 0.94 LCK (0.59) LCKJAK2JAK3AKR1C3MKNK1
SCHEMBL7018638 0.92 LCK (0.65) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7599669 0.89 LCK (0.62) LCKJAK2JAK3AKR1C3MKNK1
SCHEMBL7022463 0.89 LCK (0.62) LCKJAK2JAK3AKR1C3MKNK1
SCHEMBL7019259 0.88 LCK (0.63) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7592146 0.88 LCK (0.63) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7023777 0.88 LCK (0.59) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7586650 0.88 LCK (0.59) 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