SCHEMBL7020476

SCHEMBL7020476

COc1ccc(NC(=O)c2cccc([C@H](C)Nc3nccc(-n4cnc5ccccc54)n3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.61
MKNK2 Q9HBH9 5/20 0.51
MKNK1 Q9BUB5 4/20 0.51
JAK2 O60674 1/20 0.51
JAK3 P52333 1/20 0.51

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
SCHEMBL7021623 0.93 LCK (0.60) LCKMKNK2MKNK1JAK2JAK3
SCHEMBL7655090 0.92 LCK (0.70) LCKMKNK2MKNK1JAK2JAK3
SCHEMBL7017569 0.90 LCK (0.63) LCKMKNK2MKNK1JAK2JAK3
SCHEMBL7021544 0.88 LCK (0.60) LCKMKNK2MKNK1JAK2JAK3
SCHEMBL7023423 0.87 LCK (0.70) LCKMKNK2MKNK1JAK2JAK3
SCHEMBL7101235 0.86 LCK (0.60) LCKMKNK2MKNK1JAK2JAK3
SCHEMBL7101240 0.86 LCK (0.60) LCKMKNK2MKNK1JAK2JAK3
SCHEMBL7599669 0.86 LCK (0.62) LCKMKNK2MKNK1JAK2JAK3
SCHEMBL7022463 0.86 LCK (0.62) LCKMKNK2MKNK1JAK2JAK3
SCHEMBL7027204 0.85 LCK (0.73) 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 2 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