SCHEMBL7018448

SCHEMBL7018448

C[C@H](Nc1nccc(-n2cnc3cc(NC(=O)C4CCCN(C(=O)OC(C)(C)C)C4)ccc32)n1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.52

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
SCHEMBL7017415 0.93 LCK (0.55) LCK
SCHEMBL7018110 0.89 LCK (0.62) LCK
SCHEMBL7017410 0.88 LCK (0.63) LCK
SCHEMBL7018108 0.88 LCK (0.53) LCK
SCHEMBL7019412 0.86 LCK (0.52) LCK
SCHEMBL7022809 0.86 LCK (0.52) LCK
SCHEMBL7020076 0.84 LCK (0.61) LCK
SCHEMBL7018400 0.82 LCK (0.52) LCK
SCHEMBL7017272 0.82 LCK (0.58) LCK
SCHEMBL7024810 0.82 LCK (0.59) 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 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