SCHEMBL7105532

SCHEMBL7105532

C[C@H](Nc1nc(-c2ccsc2)cc(-n2cnc3ccccc32)n1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.60
JAK2 O60674 4/20 0.49
JAK3 P52333 4/20 0.49
AURKB Q96GD4 2/20 0.44
AURKA O14965 1/20 0.44
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
FYN P06241 1/20 0.43
PDGFRA P16234 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
CSNK1G1 Q9HCP0 1/20 0.43

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
SCHEMBL7105538 1.00 LCK (0.60) LCKJAK2JAK3AURKBAURKA
SCHEMBL7014868 0.89 LCK (0.69) LCKJAK2JAK3AURKBAURKA
SCHEMBL7021040 0.85 LCK (0.64) LCKJAK2JAK3AURKBAURKA
SCHEMBL7023496 0.84 LCK (0.62) LCKJAK2JAK3AURKBAURKA
SCHEMBL7024433 0.84 LCK (0.62) LCKJAK2JAK3AURKBAURKA
SCHEMBL7019372 0.83 LCK (0.61) LCKJAK2JAK3AURKBAURKA
SCHEMBL7100716 0.83 LCK (0.63) LCKJAK2JAK3AURKBAURKA
SCHEMBL7025640 0.83 LCK (0.60) LCKJAK2JAK3AURKBAURKA
SCHEMBL7100712 0.83 LCK (0.63) LCKJAK2JAK3AURKBAURKA
SCHEMBL7028475 0.82 LCK (0.59) LCKJAK2JAK3AURKBAURKA

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