SCHEMBL439456

SCHEMBL439456

Nc1c(Br)cnc2c(F)cc(F)cc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
TET2 Q6N021 1/20 0.33
MAP4K4 O95819 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
TNIK Q9UKE5 1/20 0.32
DYRK1A Q13627 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 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
SCHEMBL440416 0.79 CDK8 (0.33) CDK8GSK3AGSK3BCDK9CDK5
SCHEMBL31328707 0.76 GAA (0.32) MAP4K4MINK1TNIKKMT2AHTT
SCHEMBL435823 0.75 PARP1 (0.41) TET2ALOX5APFEN1KMT2AMEN1
SCHEMBL438931 0.73 HAVCR2 (0.49) CDK8GSK3AGSK3BCDK9CDK5
SCHEMBL439299 0.71 BCHE (0.34) KMT2AHTTCA1CA2CA9
SCHEMBL439853 0.71 BCHE (0.43) CDK8MAP4K4
SCHEMBL437507 0.71 MAP4K4 (0.35) TET2MAP4K4MINK1TNIKALOX5AP
SCHEMBL3254363 0.70 CDK8 (0.43) CDK8GSK3AGSK3BCDK9CDK5
SCHEMBL438361 0.69 ALDH1A1 (0.36) DYRK1AKMT2AHTTALDH1A1MAPT
SCHEMBL31178976 0.69 CA1 (0.32) TET2CA1CA2CA9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed