SCHEMBL7655090

SCHEMBL7655090

C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)c1cccc(C(=O)Nc2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.70
JAK2 O60674 1/20 0.58
JAK3 P52333 1/20 0.58
MKNK2 Q9HBH9 5/20 0.57
MKNK1 Q9BUB5 4/20 0.57

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
SCHEMBL7023423 0.95 LCK (0.70) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7017569 0.93 LCK (0.63) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7020476 0.92 LCK (0.61) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7027204 0.91 LCK (0.73) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7021623 0.91 LCK (0.60) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7018421 0.91 LCK (0.76) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7018143 0.90 LCK (0.68) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7662698 0.90 LCK (0.68) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7023318 0.90 LCK (0.74) LCKJAK2JAK3MKNK2MKNK1
SCHEMBL7024732 0.89 LCK (0.62) LCK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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