SCHEMBL3942580

SCHEMBL3942580

COc1cc(C(=O)NC2CCN(C)C2)c(F)cc1N

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD4 P21917 2/20 0.46

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
SCHEMBL3538922 1.00 HTR4 (0.47) HTR4KDM4EMEN1MAPTKMT2A
SCHEMBL1163804 0.93 KDM4E (0.51) HTR4KDM4EMEN1MAPTKMT2A
SCHEMBL3543445 0.88 PIK3CA (0.46) HTR4KDM4EMEN1MAPTKMT2A
SCHEMBL3943811 0.88 PIK3CA (0.46) HTR4KDM4EMEN1MAPTKMT2A
SCHEMBL3540628 0.87 USP30 (0.47)
SCHEMBL3936908 0.87 USP30 (0.47)
SCHEMBL13354956 0.86 PTK2 (0.49) MEN1KMT2A
SCHEMBL3936693 0.84 HTR4 (0.51) HTR4DRD4
SCHEMBL3552993 0.84 HTR4 (0.51) HTR4DRD4
SCHEMBL13880913 0.84 HTR4 (0.68) HTR4KDM4EMEN1MAPTKMT2A

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 3 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-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed