SCHEMBL7022809

SCHEMBL7022809

C[C@H](Nc1nccc(-n2cnc3cc(NC(=O)[C@H]4CCCCN4C(=O)OC(C)(C)C)ccc32)n1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.52
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
NPC1 O15118 1/20 0.43

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
SCHEMBL7019412 1.00 LCK (0.52) LCKJAK2JAK3NPC1
SCHEMBL7018108 0.98 LCK (0.53) LCKJAK2JAK3NPC1
SCHEMBL7017415 0.88 LCK (0.55) LCKJAK2JAK3NPC1
SCHEMBL7586881 0.87 LCK (0.51) LCKJAK2JAK3
SCHEMBL7019017 0.87 LCK (0.51) LCKJAK2JAK3
SCHEMBL7018735 0.87 LCK (0.57) LCK
SCHEMBL7018448 0.86 LCK (0.52) LCK
SCHEMBL7017410 0.85 LCK (0.63) LCKJAK2JAK3
SCHEMBL7018400 0.85 LCK (0.52) LCKJAK2JAK3
SCHEMBL4319121 0.85 AURKA (0.45) JAK2JAK3NPC1

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