SCHEMBL7019172

SCHEMBL7019172

CC(Nc1nc(Cl)cc(-n2cnc3ccccc32)n1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.77
FGFR1 P11362 1/20 0.50
MKNK1 Q9BUB5 4/20 0.45
MKNK2 Q9HBH9 4/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
IDH1 O75874 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL7019015 0.87 LCK (1.00) LCKFGFR1MKNK1MKNK2JAK2
SCHEMBL7017800 0.85 LCK (0.70) LCKMKNK1MKNK2IDH1JAK2
SCHEMBL7023575 0.85 LCK (0.71) LCKFGFR1MKNK1MKNK2ALDH1A1
SCHEMBL7020497 0.83 LCK (0.71) LCKFGFR1MKNK1MKNK2ALDH1A1
SCHEMBL7022403 0.81 LCK (0.52) LCKALDH1A1HTTIDH1
SCHEMBL7509435 0.78 MKNK2 (0.52) LCKFGFR1MKNK1MKNK2ALDH1A1
SCHEMBL7021078 0.78 LCK (0.82) LCKMKNK1MKNK2ALDH1A1IDH1
SCHEMBL7019381 0.78 LCK (0.82) LCKMKNK1MKNK2ALDH1A1IDH1
SCHEMBL7019588 0.78 LCK (0.82) LCKMKNK1MKNK2ALDH1A1IDH1
SCHEMBL7016656 0.78 LCK (0.82) LCKMKNK1MKNK2ALDH1A1IDH1

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