SCHEMBL31455512

SCHEMBL31455512

COC(=O)C1CCC(NCc2ccc(NC(=O)OC(C)(C)C)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.45
NAMPT P43490 2/20 0.43
SUV39H2 Q9H5I1 1/20 0.41
DRD2 P14416 1/20 0.41
EPHX2 P34913 2/20 0.39
SYK P43405 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
MAPKAPK2 P49137 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAPK14 Q16539 1/20 0.39
MAPT P10636 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL31455183 0.94 CYP17A1 (0.46) CYP17A1NAMPTSUV39H2DRD2SYK
SCHEMBL31455557 0.79 JAK2 (0.42) CYP17A1NAMPTDRD2PTGDR2MAPK14
SCHEMBL23899088 0.78 NAMPT (0.53) CYP17A1NAMPTDRD2EPHX2AURKA
SCHEMBL31629934 0.78 POLB (0.51) MEN1LMNAKMT2A
SCHEMBL2370551 0.78 LTA4H (0.48) MAPTMEN1LMNAKMT2A
SCHEMBL2370547 0.78 LTA4H (0.48) MAPTMEN1LMNAKMT2A
SCHEMBL31455132 0.75 CYP17A1 (0.42) CYP17A1NAMPTDRD2PTGDR2MAPK14
SCHEMBL31455379 0.75 DRD2 (0.43) CYP17A1NAMPTDRD2PTGDR2MAPK14
SCHEMBL28664086 0.75 CYP17A1 (0.47) CYP17A1NAMPTDRD2SYKMAPKAPK2
SCHEMBL30842059 0.74 NPC1 (0.47) EPHX2MEN1LMNAKMT2A

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed