SCHEMBL7021885

SCHEMBL7021885

C[C@H](Nc1nccc(-n2cnc3cc(-c4cccnn4)ccc32)n1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.72
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
MKNK1 Q9BUB5 3/20 0.41
MKNK2 Q9HBH9 3/20 0.41
PFKFB3 Q16875 1/20 0.41
IDH1 O75874 2/20 0.39

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
SCHEMBL7018434 0.88 LCK (0.76) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7014729 0.87 LCK (0.77) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021252 0.87 LCK (0.74) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7022510 0.85 LCK (0.76) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7587962 0.85 LCK (0.76) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7019588 0.85 LCK (0.82) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7016656 0.85 LCK (0.82) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7022196 0.84 LCK (0.80) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7019230 0.84 LCK (0.59) LCKJAK2JAK3IDH1
SCHEMBL7019015 0.84 LCK (1.00) 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 4 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 claimed
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 claimed
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