SCHEMBL7019406

SCHEMBL7019406

C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)c1cccc(C(=O)Nc2ccc3[nH]ccc3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.57
MKNK1 Q9BUB5 4/20 0.49
MKNK2 Q9HBH9 4/20 0.49
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 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
SCHEMBL7655090 0.87 LCK (0.70) LCKMKNK1MKNK2JAK2JAK3
SCHEMBL7017569 0.86 LCK (0.63) LCKMKNK1MKNK2JAK2JAK3
SCHEMBL7023423 0.85 LCK (0.70) LCKMKNK1MKNK2JAK2JAK3
SCHEMBL7020476 0.84 LCK (0.61) LCKMKNK1MKNK2JAK2JAK3
SCHEMBL7021623 0.84 LCK (0.60) LCKMKNK1MKNK2JAK2JAK3
SCHEMBL7027204 0.82 LCK (0.73) LCKMKNK1MKNK2JAK2JAK3
SCHEMBL7024732 0.82 LCK (0.62) LCK
SCHEMBL7018421 0.82 LCK (0.76) LCKMKNK1MKNK2JAK2JAK3
SCHEMBL7021478 0.81 LCK (0.66) LCKMKNK1MKNK2JAK2JAK3
SCHEMBL7024895 0.81 LCK (0.68) LCKMKNK1MKNK2JAK2JAK3

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