SCHEMBL6204712

SCHEMBL6204712

NCCC(N)c1nc(Cl)ncc1Br

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.33
BCR P11274 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
STK17B O94768 1/20 0.30
STK17A Q9UEE5 1/20 0.30
RPS6KA5 O75582 1/20 0.30

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
SCHEMBL22964601 0.72 ABL1 (0.37) ABL1BCRMEN1KMT2ARPS6KA5
SCHEMBL25128598 0.71 MEN1 (0.39) ABL1BCRMEN1KMT2ARPS6KA5
SCHEMBL5149760 0.71 ABL1 (0.33) ABL1BCR
SCHEMBL4071074 0.69 KMT2A (0.37) ABL1BCRKMT2A
SCHEMBL3139273 0.68 MEN1 (0.36) ABL1BCRMEN1KMT2ASTK17B
SCHEMBL6210264 0.67 SLC6A2 (0.34) ABL1BCRMEN1KMT2A
SCHEMBL6212769 0.67 ALDH1A1 (0.32)
SCHEMBL3447093 0.67 STK17B (0.36) ABL1BCRMEN1KMT2ASTK17B
SCHEMBL6215293 0.66 MAPT (0.33)
SCHEMBL5151737 0.66 STK17A (0.50) MEN1KMT2ASTK17BSTK17A

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-1530574-A1 MACROCYCLIC PYRIMIDINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-18 EP disclosed
WO-2004026881-A1 MACROCYCLIC PYRIMIDINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-01 WO disclosed