SCHEMBL7016371

SCHEMBL7016371

C[C@H](Nc1nccc(-n2cnc3ccc(C(=O)NCc4ccccc4)cc32)n1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.65
JAK2 O60674 1/20 0.58
JAK3 P52333 1/20 0.58
ROCK1 Q13464 1/20 0.49
MKNK2 Q9HBH9 4/20 0.48
MKNK1 Q9BUB5 3/20 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
SCHEMBL7019715 0.90 LCK (0.66) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7016418 0.87 LCK (0.74) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7018143 0.87 LCK (0.68) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7662698 0.87 LCK (0.68) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7026453 0.86 LCK (0.73) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7019622 0.85 LCK (0.61) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7015923 0.85 LCK (0.71) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL3260561 0.84 AURKA (0.54) LCKJAK2JAK3ROCK1
SCHEMBL3260565 0.84 AURKA (0.54) LCKJAK2JAK3ROCK1
SCHEMBL7023376 0.82 LCK (0.64) 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