SCHEMBL31455183

SCHEMBL31455183

COC(=O)[C@H]1CC[C@H](NCc2ccc(NC(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.46
NAMPT P43490 1/20 0.43
SUV39H2 Q9H5I1 1/20 0.42
DRD2 P14416 1/20 0.41
SYK P43405 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
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
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 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
SCHEMBL31455512 0.94 CYP17A1 (0.45) CYP17A1NAMPTSUV39H2DRD2SYK
SCHEMBL31455132 0.80 CYP17A1 (0.42) CYP17A1NAMPTDRD2NPC1RAB9A
SCHEMBL23899088 0.79 NAMPT (0.53) CYP17A1NAMPTDRD2AURKARPS6KB1
SCHEMBL28664086 0.78 CYP17A1 (0.47) CYP17A1NAMPTDRD2SYKNPC1
SCHEMBL17605464 0.78 BCHE (0.42) HDAC1ALDH1A1MEN1LMNAKMT2A
SCHEMBL31455379 0.78 DRD2 (0.43) CYP17A1NAMPTDRD2NPC1RAB9A
SCHEMBL31455557 0.78 JAK2 (0.42) CYP17A1NAMPTDRD2PTGDR2MAPK14
SCHEMBL3641906 0.78 KMT2A (0.47) RAB9AALDH1A1MEN1LMNAKMT2A
SCHEMBL17606417 0.77 SSTR3 (0.46) RAB9AHDAC1ALDH1A1MEN1KMT2A
SCHEMBL17606418 0.77 SSTR3 (0.46) RAB9AHDAC1ALDH1A1MEN1KMT2A

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