SCHEMBL7023569

SCHEMBL7023569

C[C@H](Nc1nccc(-n2cnc3cc(NC(=O)c4cccc(Cl)c4)ccc32)n1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.62
JAK2 O60674 1/20 0.54
JAK3 P52333 1/20 0.54
MAPK14 Q16539 1/20 0.53
CDK2 P24941 1/20 0.49
MKNK1 Q9BUB5 3/20 0.47
MKNK2 Q9HBH9 3/20 0.47
IDH1 O75874 1/20 0.45

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
SCHEMBL7014887 0.92 LCK (0.69) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7020303 0.92 LCK (0.64) LCKJAK2JAK3MAPK14MKNK1
SCHEMBL7547366 0.92 LCK (0.64) LCKJAK2JAK3MAPK14MKNK1
SCHEMBL7600966 0.91 LCK (0.71) LCKJAK2JAK3MAPK14MKNK1
SCHEMBL7024476 0.91 LCK (0.71) LCKJAK2JAK3MAPK14MKNK1
SCHEMBL7023427 0.90 LCK (0.62) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7676552 0.90 LCK (0.62) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7101240 0.89 LCK (0.60) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021278 0.89 LCK (0.60) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7101235 0.89 LCK (0.60) 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 5 patents. 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 disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 US disclosed
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