SCHEMBL7017569

SCHEMBL7017569

C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.63
MKNK2 Q9HBH9 5/20 0.53
MKNK1 Q9BUB5 4/20 0.53
JAK2 O60674 1/20 0.52
JAK3 P52333 1/20 0.52
CDK2 P24941 1/20 0.52

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
SCHEMBL7655090 0.93 LCK (0.70) LCKMKNK2MKNK1JAK2JAK3
SCHEMBL7020476 0.90 LCK (0.61) LCKMKNK2MKNK1JAK2JAK3
SCHEMBL7023423 0.88 LCK (0.70) LCKMKNK2MKNK1JAK2JAK3
SCHEMBL7027204 0.86 LCK (0.73) LCKMKNK2MKNK1JAK2JAK3
SCHEMBL7021623 0.86 LCK (0.60) LCKMKNK2MKNK1JAK2JAK3
SCHEMBL7024732 0.86 LCK (0.62) LCK
SCHEMBL7023569 0.86 LCK (0.62) LCKMKNK2MKNK1JAK2JAK3
SCHEMBL7018421 0.86 LCK (0.76) LCKMKNK2MKNK1JAK2JAK3
SCHEMBL7019406 0.86 LCK (0.57) LCKMKNK2MKNK1JAK2JAK3
SCHEMBL7020303 0.86 LCK (0.64) LCKMKNK2MKNK1JAK2JAK3

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