SCHEMBL3944499

SCHEMBL3944499

CNC(=O)CCN(CC(C)C)c1nc(Cl)ncc1Br.Clc1ncc(Br)c(Cl)n1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
ABL1 P00519 1/20 0.30
BCR P11274 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
SCHEMBL3545008 0.96 MEN1 (0.33) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL3542118 0.88 MEN1 (0.33) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL3934658 0.85 ABL1 (0.33) MEN1KMT2AABL1BCR
SCHEMBL3546180 0.83 MEN1 (0.43) MEN1KMT2A
SCHEMBL3537452 0.80 ABL1 (0.35) MEN1KMT2AABL1BCR
SCHEMBL3539558 0.79 HDAC3 (0.38) MEN1KMT2AABL1BCR
SCHEMBL3543306 0.78 CRHR1 (0.35) MEN1KMT2A
SCHEMBL3542239 0.78 MEN1 (0.34) MEN1KMT2AABL1BCR
SCHEMBL3538730 0.77 ABL1 (0.33) MEN1KMT2AABL1BCR
SCHEMBL3546883 0.74 HSD17B1 (0.37) ABL1BCR

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