SCHEMBL4169986

SCHEMBL4169986

CNC(=O)CCN(CCOC)c1nc(Cl)ncc1Br.CNC(=O)CCNCCOC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 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
SCHEMBL3539558 0.93 HDAC3 (0.38) HDAC3HDAC1HDAC6MEN1KMT2A
SCHEMBL3546180 0.80 MEN1 (0.43) MEN1KMT2AALDH1A1TDP1
SCHEMBL3542118 0.78 MEN1 (0.33) HDAC1MEN1KMT2A
SCHEMBL3545008 0.77 MEN1 (0.33) MEN1KMT2A
SCHEMBL3546883 0.75 HSD17B1 (0.37) KDM4EHDAC3HDAC1HDAC6
SCHEMBL3543306 0.75 CRHR1 (0.35) MEN1KMT2ACYP2D6
SCHEMBL3542239 0.75 MEN1 (0.34) MEN1KMT2A
SCHEMBL3944499 0.73 MEN1 (0.31) MEN1KMT2A
SCHEMBL3537452 0.72 ABL1 (0.35) MEN1KMT2A
SCHEMBL3542236 0.70 PDCD1 (0.32) MEN1KMT2A

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-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed