SCHEMBL7023575

SCHEMBL7023575

Cc1ccccc1-c1cc(-n2cnc3ccccc32)nc(NC(C)c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.71
FGFR1 P11362 1/20 0.46
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PFKFB3 Q16875 1/20 0.40
GAA P10253 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7018308 0.87 LCK (0.64) LCKMKNK1MKNK2JAK2JAK3
SCHEMBL7016544 0.86 LCK (0.61) LCKMKNK1MKNK2PDE4APDE4D
SCHEMBL7019172 0.85 LCK (0.77) LCKFGFR1MKNK1MKNK2ALDH1A1
SCHEMBL7020497 0.85 LCK (0.71) LCKFGFR1MKNK1MKNK2ALDH1A1
SCHEMBL7019015 0.83 LCK (1.00) LCKFGFR1MKNK1MKNK2JAK2
SCHEMBL7509987 0.81 LCK (0.48) LCKFGFR1MKNK1MKNK2PDE4A
SCHEMBL7015912 0.79 LCK (0.69) LCKFGFR1MKNK1MKNK2JAK2
SCHEMBL7023421 0.79 LCK (0.69) LCKMKNK1MKNK2JAK2JAK3
SCHEMBL7013270 0.78 LCK (0.54) LCKMKNK1MKNK2JAK2JAK3
SCHEMBL7018072 0.77 LCK (0.62) LCKMKNK1MKNK2JAK2JAK3

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