SCHEMBL7028508

SCHEMBL7028508

C[C@H](Nc1nccc(-n2cnc3cc(-c4cc(Cl)nc(N)n4)ccc32)n1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.81
JAK2 O60674 2/20 0.56
JAK3 P52333 2/20 0.56
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
CDK2 P24941 1/20 0.40
IDH1 O75874 1/20 0.39

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
SCHEMBL7589479 1.00 LCK (0.81) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7025711 0.91 LCK (0.83) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7589881 0.91 LCK (0.83) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7018359 0.89 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7591189 0.89 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7017057 0.87 LCK (0.66) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7024610 0.87 LCK (0.76) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021654 0.86 LCK (0.75) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7102584 0.86 LCK (0.72) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7019590 0.86 LCK (0.72) 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