SCHEMBL7013270

SCHEMBL7013270

Cc1ccccc1-c1cc(-n2cnc3cc(-c4ccncc4)ccc32)nc(N[C@@H](C)c2cccc(C[N+](=O)[O-])c2)n1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.54
JAK2 O60674 3/20 0.38
JAK3 P52333 3/20 0.38
MKNK2 Q9HBH9 3/20 0.32
MKNK1 Q9BUB5 3/20 0.32
CYP2C9 P11712 1/20 0.31
PLK1 P53350 1/20 0.31
PLK3 Q9H4B4 1/20 0.31

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
SCHEMBL7017083 0.91 LCK (0.52) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7576852 0.87 LCK (0.71) LCKJAK2JAK3
SCHEMBL7019097 0.87 LCK (0.71) LCKJAK2JAK3
SCHEMBL7503674 0.86 MKNK2 (0.44) LCKMKNK2MKNK1
SCHEMBL7022351 0.83 LCK (0.58) LCKJAK2JAK3
SCHEMBL7016544 0.79 LCK (0.61) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7020793 0.78 LCK (0.67) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7571380 0.78 LCK (0.67) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7023575 0.78 LCK (0.71) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7501017 0.77 MKNK2 (0.54) LCKMKNK2MKNK1

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