SCHEMBL7019622

SCHEMBL7019622

C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)c1cccc(C(=O)NCc2ccncc2)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.61
MKNK1 Q9BUB5 6/20 0.57
JAK2 O60674 1/20 0.55
JAK3 P52333 1/20 0.55
MKNK2 Q9HBH9 5/20 0.50

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
SCHEMBL7019715 0.95 LCK (0.66) LCKMKNK1JAK2JAK3MKNK2
SCHEMBL7021478 0.89 LCK (0.66) LCKMKNK1JAK2JAK3MKNK2
SCHEMBL7022483 0.87 LCK (0.59) LCKMKNK1JAK2JAK3MKNK2
SCHEMBL7023376 0.87 LCK (0.64) LCKMKNK1JAK2JAK3MKNK2
SCHEMBL7016371 0.85 LCK (0.65) LCKMKNK1JAK2JAK3MKNK2
SCHEMBL7027204 0.85 LCK (0.73) LCKMKNK1JAK2JAK3MKNK2
SCHEMBL7655090 0.85 LCK (0.70) LCKMKNK1JAK2JAK3MKNK2
SCHEMBL7018421 0.84 LCK (0.76) LCKMKNK1JAK2JAK3MKNK2
SCHEMBL7023318 0.84 LCK (0.74) LCKMKNK1JAK2JAK3MKNK2
SCHEMBL7024732 0.83 LCK (0.62) LCK

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