SCHEMBL5364207

SCHEMBL5364207

Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1ccc2nccn2c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.60
TRIM33 Q9UPN9 3/20 0.44
KEAP1 Q14145 1/20 0.41
FLT3 P36888 5/20 0.41
MERTK Q12866 5/20 0.41
AXL P30530 4/20 0.41
MET P08581 1/20 0.41
PDE4A P27815 1/20 0.39
PDE3A Q14432 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6468889 0.81 AR (0.86) ARHSD17B10
SCHEMBL6464451 0.78 AR (0.80) AR
SCHEMBL6465872 0.78 AR (0.76) AR
SCHEMBL24414502 0.77 AR (0.80) ARCYP3A4
SCHEMBL5474477 0.77 AR (0.57) AR
SCHEMBL5365605 0.76 AR (0.56) ARTRIM33
SCHEMBL6466724 0.76 AR (0.58) AR
SCHEMBL24411088 0.75 AR (0.76) AR
SCHEMBL21996432 0.75 AR (0.76) AR
SCHEMBL24411064 0.75 AR (0.76) AR

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
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed