SCHEMBL6636634

SCHEMBL6636634

[CH2]CNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C#C[Si](C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 12/20 0.49
STK17B O94768 7/20 0.49
BRD4 O60885 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SLC2A1 P11166 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
NPY5R Q15761 1/20 0.37
BCL6 P41182 1/20 0.37
AURKA O14965 1/20 0.36
ULK1 O75385 1/20 0.36

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
SCHEMBL1916749 0.84 STK17A (0.50) STK17ASTK17BBRD4HDAC3HDAC1
Hydrochloric Acid SCHEMBL1916778 0.83 STK17A (0.49) STK17ASTK17BBRD4HDAC3HDAC1
SCHEMBL16450210 0.71 TBK1 (0.48) AURKA
SCHEMBL1917907 0.70 STK17A (0.53) STK17ASTK17BBRD4HDAC3HDAC1
SCHEMBL1918252 0.70 STK17A (0.53) STK17ASTK17BBRD4HDAC3HDAC1
SCHEMBL5408742 0.69 STK17A (0.58) STK17ASTK17BBRD4HDAC3HDAC1
SCHEMBL1917265 0.68 SRC (0.49) STK17ASTK17BHDAC3HDAC1HDAC2
SCHEMBL5402321 0.67 STK17A (0.55) STK17ASTK17BBRD4HDAC3HDAC1
SCHEMBL1916395 0.67 CHEK1 (0.54) STK17ASTK17BAURKAULK1
SCHEMBL20154739 0.66 STK17A (1.00) STK17ASTK17B

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-1438053-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-21 EP disclosed
WO-2003032997-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 WO disclosed