SCHEMBL7018567

SCHEMBL7018567

CC(=O)Nc1ccc(-c2ccc3c(c2)ncn3-c2ccnc(N[C@@H](C)c3ccccc3)n2)cc1NC(C)=O

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 0.71
JAK2 O60674 1/20 0.56
JAK3 P52333 1/20 0.56
MKNK2 Q9HBH9 3/20 0.48
MKNK1 Q9BUB5 2/20 0.48

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
SCHEMBL7018414 0.89 LCK (0.70) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7585973 0.89 LCK (0.70) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7016823 0.88 LCK (0.78) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7024707 0.87 LCK (0.71) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7020879 0.86 LCK (0.90) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7020370 0.84 LCK (0.74) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7016875 0.84 LCK (1.00) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7021150 0.84 LCK (0.85) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7592779 0.84 LCK (1.00) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7020581 0.83 LCK (0.73) LCKJAK2JAK3MKNK2MKNK1

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