SCHEMBL7100712

SCHEMBL7100712

C[C@H](Nc1nc(-c2ccoc2)cc(-n2cnc3ccccc32)n1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.63
JAK2 O60674 5/20 0.58
JAK3 P52333 5/20 0.58
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL7100716 1.00 LCK (0.63) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7594120 0.91 LCK (0.67) LCKJAK2JAK3
SCHEMBL7021918 0.91 LCK (0.67) LCKJAK2JAK3
SCHEMBL7014492 0.91 LCK (0.67) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7014868 0.89 LCK (0.69) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7020497 0.87 LCK (0.71) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021040 0.85 LCK (0.64) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7023496 0.84 LCK (0.62) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7024433 0.84 LCK (0.62) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7105532 0.83 LCK (0.60) 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 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