SCHEMBL3829682

SCHEMBL3829682

NC(=O)Nc1cc(-c2ccc(F)nc2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 18/20 0.57
GSK3B P49841 1/20 0.54
TGFBR1 P36897 1/20 0.48
TGFBR2 P37173 1/20 0.48

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
SCHEMBL1553491 0.80 PIK3C3 (0.51) TGFBR1TGFBR2
SCHEMBL6127596 0.74 NR3C2 (0.64) NR3C2
SCHEMBL4543136 0.73 NR3C2 (1.00) NR3C2GSK3B
SCHEMBL17939712 0.72 PLCG1 (0.58)
SCHEMBL17923108 0.72 DYRK1A (0.50)
SCHEMBL28673160 0.72 CYP2A6 (0.49)
SCHEMBL30879526 0.71 CDK1 (0.62) NR3C2GSK3B
SCHEMBL25161315 0.70 HDAC1 (0.51)
SCHEMBL4542115 0.70 NR3C2 (1.00) NR3C2GSK3B
SCHEMBL4540895 0.70 NR3C2 (0.91) NR3C2GSK3B

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-2102199-A1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS AstraZeneca AB (SE) 2009-09-23 EP disclosed
WO-2008068470-A1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2008-06-12 WO disclosed