SCHEMBL5335403

SCHEMBL5335403

COc1cc(N)cc(Nc2nccc3sccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
EPAS1 Q99814 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CSNK2A1 P68400 2/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
SRC P12931 2/20 0.44
ZAP70 P43403 2/20 0.44
SYK P43405 2/20 0.44
PIK3C2B O00750 1/20 0.41
PIK3C2G O75747 1/20 0.41
CLK1 P49759 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
EGFR P00533 3/20 0.39
LCK P06239 1/20 0.39
HTR6 P50406 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
SCHEMBL5331600 0.92 EPAS1 (0.52) NPC1RAB9AEPAS1MEN1KMT2A
SCHEMBL5343088 0.84 RAB9A (0.66) NPC1RAB9AEPAS1MEN1KMT2A
Hydrochloric Acid SCHEMBL5332537 0.83 NPC1 (0.43) NPC1RAB9AEPAS1MEN1KMT2A
SCHEMBL5334309 0.78 SRC (0.48) NPC1RAB9AMEN1KMT2ACSNK2A1
SCHEMBL5334156 0.77 MEN1 (0.46) NPC1RAB9AMEN1KMT2ACSNK2A1
SCHEMBL5340653 0.77 EPAS1 (0.39) NPC1RAB9AEPAS1MEN1KMT2A
SCHEMBL5314760 0.75 MEN1 (0.57) NPC1RAB9AMEN1KMT2ACSNK2A1
SCHEMBL5311682 0.74 CSNK2A2 (0.41) RAB9AMEN1KMT2ACSNK2A1CSNK2A2
SCHEMBL5378756 0.74 MEN1 (0.47) NPC1RAB9AMEN1KMT2ACSNK2A1
Hydrochloric Acid SCHEMBL5369271 0.74 MEN1 (0.56) NPC1MEN1KMT2ACSNK2A1SRC

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