SCHEMBL5336441

SCHEMBL5336441

COc1cc(O)cc(Nc2cncc3sccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
SRC P12931 2/20 0.38
ZAP70 P43403 2/20 0.38
SYK P43405 2/20 0.38
EPAS1 Q99814 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
VCAM1 P19320 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TP53 P04637 1/20 0.35

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 0.91 EPAS1 (0.43) CSNK2A1CSNK2A2CSNK2BSRCZAP70
SCHEMBL5340653 0.85 EPAS1 (0.39) CSNK2A1CSNK2A2CSNK2BSRCZAP70
SCHEMBL5330964 0.83 CSNK2A1 (0.35) CSNK2A1CSNK2A2CSNK2BSRCZAP70
Hydrochloric Acid SCHEMBL5334356 0.82 CSNK2A1 (0.35) CSNK2A1CSNK2A2CSNK2BSRCZAP70
SCHEMBL5312247 0.81 MAPT (0.42) CSNK2A1CSNK2A2CSNK2BNPC1RAB9A
SCHEMBL5376227 0.78 KMT2A (0.45) SYKNPC1RAB9AMEN1KMT2A
SCHEMBL5329633 0.76 KMT2A (0.52) SRCRAB9AMEN1KMT2A
SCHEMBL5333560 0.75 MEN1 (0.55) CSNK2A1NPC1RAB9AMEN1KMT2A
SCHEMBL5332098 0.75 MEN1 (0.49) CSNK2A1NPC1MEN1KMT2ATP53
SCHEMBL5313426 0.73 PTGS1 (0.46) CSNK2A1NPC1RAB9AMEN1KMT2A

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