SCHEMBL7019015

SCHEMBL7019015

CC(Nc1nccc(-n2cnc3ccccc32)n1)c1cccc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 1.00
JAK2 O60674 1/20 0.58
JAK3 P52333 1/20 0.58
MKNK2 Q9HBH9 4/20 0.57
MKNK1 Q9BUB5 3/20 0.57
FGFR1 P11362 1/20 0.52
CDK2 P24941 1/20 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
SCHEMBL7016656 0.90 LCK (0.82) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7021078 0.90 LCK (0.82) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7019381 0.90 LCK (0.82) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7019588 0.90 LCK (0.82) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7022196 0.89 LCK (0.80) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7016030 0.88 LCK (0.78) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7018910 0.88 LCK (0.78) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7019172 0.87 LCK (0.77) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7014729 0.87 LCK (0.77) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7587962 0.87 LCK (0.76) LCKJAK2JAK3MKNK2MKNK1

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 2 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