SCHEMBL5331600

SCHEMBL5331600

COc1cc(Nc2nccc3sccc23)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SRC P12931 2/20 0.50
ZAP70 P43403 2/20 0.50
SYK P43405 2/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CSNK2A1 P68400 2/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CLK1 P49759 1/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
EGFR P00533 2/20 0.45
LCK P06239 1/20 0.45
PIK3C2B O00750 1/20 0.42
PIK3C2G O75747 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL5335403 0.92 NPC1 (0.46) EPAS1NPC1RAB9ASRCZAP70
SCHEMBL5343088 0.88 RAB9A (0.66) EPAS1NPC1RAB9ASRCMEN1
Hydrochloric Acid SCHEMBL5332537 0.88 NPC1 (0.43) EPAS1NPC1RAB9ASRCZAP70
SCHEMBL5334309 0.82 SRC (0.48) NPC1RAB9ASRCZAP70SYK
SCHEMBL5314760 0.79 MEN1 (0.57) NPC1RAB9ASRCMEN1KMT2A
SCHEMBL5311682 0.78 CSNK2A2 (0.41) RAB9ASRCZAP70SYKMEN1
Hydrochloric Acid SCHEMBL5369271 0.78 MEN1 (0.56) NPC1SRCMEN1KMT2ACSNK2A1
SCHEMBL5378756 0.78 MEN1 (0.47) NPC1RAB9ASRCMEN1KMT2A
SCHEMBL5315096 0.78 RAB9A (0.79) NPC1RAB9AMEN1KMT2AEGFR
SCHEMBL5334156 0.76 MEN1 (0.46) NPC1RAB9AMEN1KMT2ACSNK2A1

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 3 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
WO-2007056215-A2 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA, INC. (US) 2007-05-18 WO disclosed