SCHEMBL7018559

SCHEMBL7018559

C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)c1cccc(N)c1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.78
JAK2 O60674 1/20 0.63
JAK3 P52333 1/20 0.63
MKNK1 Q9BUB5 3/20 0.62
MKNK2 Q9HBH9 3/20 0.62
ROCK1 Q13464 1/20 0.52
CDK2 P24941 1/20 0.52

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
SCHEMBL7020339 0.88 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7022505 0.88 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7015903 0.86 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7585633 0.86 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7017830 0.86 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7022090 0.86 LCK (0.83) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7016498 0.86 LCK (0.83) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7015163 0.86 LCK (0.78) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7694216 0.85 LCK (0.78) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7017993 0.85 LCK (0.78) 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