SCHEMBL28041187

SCHEMBL28041187

O=C(O)c1ccc2nc(-c3cccc(N4CCCC4CO)c3)cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.47
HPGD P15428 6/20 0.45
LDHA P00338 2/20 0.43
LDHB P07195 2/20 0.43
JAK3 P52333 3/20 0.41
JAK2 O60674 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AOC3 Q16853 2/20 0.39
MAPK1 P28482 1/20 0.38
PIK3CA P42336 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 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
SCHEMBL28041311 0.89 SYK (0.49) SYKHPGDLDHALDHBJAK3
SCHEMBL27868874 0.87 HPGD (0.46) SYKHPGDLDHALDHBJAK3
SCHEMBL27868871 0.86 HPGD (0.45) HPGDLDHALDHBJAK3JAK2
SCHEMBL27885415 0.80 HPGD (0.56) HPGDJAK3JAK2MAPK1
SCHEMBL12401317 0.79 MAPK1 (0.48) SYKJAK3JAK2IRAK4MAPK1
SCHEMBL27868872 0.76 KMO (0.57) HPGDJAK3JAK2PIK3CA
SCHEMBL27868880 0.76 CHEK1 (0.52) HPGDJAK3JAK2NPC1RAB9A
SCHEMBL27868873 0.76 ABCG2 (0.53) HPGDJAK3JAK2
SCHEMBL1457983 0.75 HPGD (0.55) HPGDNPC1RAB9A
SCHEMBL1459881 0.75 HPGD (0.55) HPGDNPC1RAB9A

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
CN-102656163-B Suppress the heterogeneous ring compound of PASK BIOENERGENIX (US) 2016-01-13 CN claimed
CN-102656163-B Suppress the heterogeneous ring compound of PASK BIOENERGENIX (US) 2016-01-13 CN disclosed