SCHEMBL7018308

SCHEMBL7018308

Cc1ccccc1-c1cc(-n2cnc3ccccc32)nc(N[C@@H](C)c2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.64
JAK2 O60674 3/20 0.52
JAK3 P52333 3/20 0.52
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46

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
SCHEMBL7015912 0.91 LCK (0.69) LCKJAK2JAK3AURKAAURKB
SCHEMBL7023421 0.91 LCK (0.69) LCKJAK2JAK3AURKAAURKB
SCHEMBL7018072 0.89 LCK (0.62) LCKJAK2JAK3AURKAAURKB
SCHEMBL7014868 0.87 LCK (0.69) LCKJAK2JAK3AURKAAURKB
SCHEMBL7024278 0.87 LCK (0.60) LCKJAK2JAK3AURKAAURKB
SCHEMBL7023575 0.87 LCK (0.71) LCKJAK2JAK3AURKAAURKB
SCHEMBL7020320 0.86 LCK (0.59) LCKJAK2JAK3AURKAAURKB
SCHEMBL7023866 0.86 LCK (0.59) LCKJAK2JAK3AURKAAURKB
SCHEMBL7576852 0.86 LCK (0.71) LCKJAK2JAK3
SCHEMBL7019097 0.86 LCK (0.71) LCKJAK2JAK3

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