SCHEMBL31455557

SCHEMBL31455557

COC(=O)C1CCC(N(C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
CYP17A1 P05093 1/20 0.42
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
DRD2 P14416 1/20 0.39
CACNA1B Q00975 1/20 0.38
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
LTA4H P09960 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
SCHEMBL31455132 0.83 CYP17A1 (0.42) CYP17A1MMP1MMP2MMP9MMP8
SCHEMBL31455379 0.83 DRD2 (0.43) CYP17A1DRD2LCKFYNLYN
SCHEMBL31455031 0.79 HRH4 (0.38) JAK2JAK1LTA4H
SCHEMBL31455512 0.79 CYP17A1 (0.45) CYP17A1DRD2MEN1KMT2APTGDR2
SCHEMBL31455183 0.78 CYP17A1 (0.46) CYP17A1DRD2MEN1KMT2APTGDR2
SCHEMBL22930812 0.75 CYP17A1 (0.57) CYP17A1MMP1MMP2MMP9MMP8
SCHEMBL30872826 0.73 CYP17A1 (0.52) CYP17A1MMP1MMP2MMP9MMP8
SCHEMBL28664086 0.72 CYP17A1 (0.47) CYP17A1DRD2NAMPT
SCHEMBL8949097 0.71 ALDH1A1 (0.50) JAK2JAK1MEN1KMT2A
SCHEMBL25928005 0.71 ALDH1A1 (0.50) JAK2JAK1MEN1KMT2A

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