SCHEMBL5329633

SCHEMBL5329633

COc1ccc(Nc2cncc3sccc23)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
EGFR P00533 4/20 0.47
CHEK1 O14757 1/20 0.43
ABCG2 Q9UNQ0 4/20 0.41
CLK1 P49759 3/20 0.41
PRKCQ Q04759 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
LCK P06239 1/20 0.40
ALOX5 P09917 1/20 0.40
ERBB2 P04626 1/20 0.39
SRC P12931 1/20 0.39
RAB9A P51151 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL5335650 0.81 EPAS1 (0.43) KMT2AMEN1CLK1SRCRAB9A
SCHEMBL5339343 0.81 ICAM1 (0.42) KMT2AMEN1
SCHEMBL5332098 0.81 MEN1 (0.49) KMT2AMEN1EGFR
SCHEMBL5330795 0.80 IRAK4 (0.47) KMT2AMEN1
SCHEMBL5339543 0.79 TNF (0.55) KMT2AMEN1RAB9APDE10A
SCHEMBL5313426 0.78 PTGS1 (0.46) KMT2AMEN1RAB9A
SCHEMBL5333560 0.78 MEN1 (0.55) KMT2AMEN1ALOX5RAB9A
SCHEMBL5340653 0.76 EPAS1 (0.39) KMT2AMEN1CLK1SRCRAB9A
SCHEMBL5336441 0.76 CSNK2A1 (0.39) KMT2AMEN1SRCRAB9A
SCHEMBL5331010 0.76 CSNK2A1 (0.51) KMT2AMEN1RAB9A

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-2007056215-A9 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA INC (US) 2007-09-13 WO claimed
WO-2007056215-A2 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA, INC. (US) 2007-05-18 WO claimed