SCHEMBL5330964

SCHEMBL5330964

COc1cc(Nc2cncc3sccc23)cc(N(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
EPAS1 Q99814 1/20 0.35
ACP1 P24666 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SRC P12931 1/20 0.34
ZAP70 P43403 1/20 0.34
SYK P43405 1/20 0.34
KDM1A O60341 2/20 0.33
CLK1 P49759 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
PTGS1 P23219 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32

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
Hydrochloric Acid SCHEMBL5334356 0.99 CSNK2A1 (0.35) CSNK2A1CSNK2A2CSNK2BEPAS1ACP1
SCHEMBL5335650 0.89 EPAS1 (0.43) CSNK2A1CSNK2A2CSNK2BEPAS1NPC1
SCHEMBL5340653 0.83 EPAS1 (0.39) CSNK2A1CSNK2A2CSNK2BEPAS1NPC1
SCHEMBL5336441 0.83 CSNK2A1 (0.39) CSNK2A1CSNK2A2CSNK2BEPAS1NPC1
SCHEMBL5312247 0.79 MAPT (0.42) CSNK2A1CSNK2A2CSNK2BNPC1RAB9A
SCHEMBL5376227 0.76 KMT2A (0.45) NPC1RAB9ASYKMEN1KMT2A
Hydrochloric Acid SCHEMBL5332537 0.76 NPC1 (0.43) CSNK2A1CSNK2A2CSNK2BEPAS1NPC1
SCHEMBL5329633 0.74 KMT2A (0.52) RAB9ASRCCLK1MEN1KMT2A
SCHEMBL5332098 0.73 MEN1 (0.49) CSNK2A1NPC1MEN1KMT2ATP53
SCHEMBL5333560 0.73 MEN1 (0.55) 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-A9 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA INC (US) 2007-09-13 WO disclosed