SCHEMBL31455379

SCHEMBL31455379

COC(=O)[C@H]1CC[C@H](N(C)CCc2ccc(NC(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
CYP17A1 P05093 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
NAMPT P43490 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
LYN P07948 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
FRK P42685 1/20 0.37
BLK P51451 1/20 0.37
PTK6 Q13882 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MAPK14 Q16539 1/20 0.37
GLS O94925 1/20 0.37
BCL2 P10415 1/20 0.36
BECN1 Q14457 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL31455557 0.83 JAK2 (0.42) DRD2CYP17A1NAMPTLCKFYN
SCHEMBL31455132 0.81 CYP17A1 (0.42) DRD2CYP17A1NAMPTNPC1RAB9A
SCHEMBL31455533 0.79 ALDH1A1 (0.39) SMN1; SMN2
SCHEMBL31455183 0.78 CYP17A1 (0.46) DRD2CYP17A1NAMPTNPC1RAB9A
SCHEMBL28664086 0.75 CYP17A1 (0.47) DRD2CYP17A1NAMPTNPC1RAB9A
SCHEMBL31455512 0.75 CYP17A1 (0.45) DRD2CYP17A1NAMPTPTGDR2MAPK14
SCHEMBL27178925 0.74 EPHX2 (0.45) CYP17A1TSHRPTPN2PTPN1PTPN6
SCHEMBL10028043 0.71 DRD2 (0.48) DRD2CYP17A1HRH3NAMPTPTGDR2
SCHEMBL23899088 0.71 NAMPT (0.53) DRD2CYP17A1NAMPTPTPN2PTPN1
SCHEMBL16246084 0.71 CYP17A1 (0.58) DRD2CYP17A1NAMPTNPC1RAB9A

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