SCHEMBL7018074

SCHEMBL7018074

CON(C)C(=O)c1ccc2c(c1)ncn2-c1ccnc(N[C@@H](C)c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.65
JAK2 O60674 1/20 0.56
JAK3 P52333 1/20 0.56
MKNK1 Q9BUB5 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
MAPK14 Q16539 6/20 0.48

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
SCHEMBL7589531 0.88 LCK (0.71) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7014906 0.88 LCK (0.71) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7014679 0.87 LCK (0.74) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7020581 0.86 LCK (0.73) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7019928 0.84 LCK (0.72) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021617 0.82 LCK (0.70) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7023052 0.81 LCK (0.80) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7015923 0.81 LCK (0.71) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7599669 0.81 LCK (0.62) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7022463 0.81 LCK (0.62) 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 6 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
US-6329380-B1 PYRIMIDINE BENZIMIDIZAZOLE, PYRIMIDINEIMIDAZOLE OR PYRIDINE IMIDAZOLE COMPOUNDS FOR ANTICANCER AGENTS OR ATHEROSCLEROSIS MERCK & CO., INC. 2001-12-11 US disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed