SCHEMBL7016030

SCHEMBL7016030

C[C@H](Nc1nccc(-n2cnc3ccc([N+](=O)[O-])cc32)n1)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.78
JAK2 O60674 1/20 0.64
JAK3 P52333 1/20 0.64
FGFR1 P11362 1/20 0.54
MKNK1 Q9BUB5 3/20 0.51
MKNK2 Q9HBH9 3/20 0.51
IDH1 O75874 3/20 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
SCHEMBL7018910 0.92 LCK (0.78) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7019015 0.88 LCK (1.00) LCKJAK2JAK3FGFR1MKNK1
SCHEMBL7019381 0.87 LCK (0.82) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021078 0.87 LCK (0.82) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7587962 0.86 LCK (0.76) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7022510 0.86 LCK (0.76) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7016983 0.84 LCK (0.87) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7016740 0.84 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7020372 0.84 LCK (0.80) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7017465 0.83 LCK (0.89) 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 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