SCHEMBL31600178

SCHEMBL31600178

CC(=O)N1CCc2c(N3CCN(C(=O)OC(C)(C)C)C4(COC4)C3)ccnc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.37
RET P07949 1/20 0.33
PIK3R1 P27986 6/20 0.33
PIK3CA P42336 6/20 0.33
UCHL1 P09936 5/20 0.33
CHRNA7 P36544 1/20 0.33
AOC3 Q16853 1/20 0.32
NOTUM Q6P988 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL31600727 0.81 JAK3 (0.38) JAK3RETDDB1CRBNNR1H2
SCHEMBL31600061 0.79 PIK3R1 (0.32) JAK3PIK3R1PIK3CA
SCHEMBL31600874 0.79 PIK3CA (0.31) JAK3PIK3R1PIK3CA
SCHEMBL31600960 0.78 RET (0.32) JAK3RET
SCHEMBL31599909 0.77 EIF2AK4 (0.41) PIK3R1PIK3CACHRNA7PIK3CDPIK3CB
SCHEMBL31600565 0.75 JAK3 (0.36) JAK3RET
SCHEMBL31600865 0.74 RET (0.36) JAK3RETUCHL1
SCHEMBL31600240 0.73 NR1H2 (0.49) UCHL1CHRNA7NOTUMNR1H2NR1H3
SCHEMBL31599864 0.72 JAK3 (0.43) JAK3RETDDB1CRBNNR1H2
SCHEMBL31599924 0.71 HDAC1 (0.46) NR1H2NR1H3

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-2025111547-A1 2,3-DIHYDROPYROLLOPYRIDINE CARBOXAMIDE COMPOUNDS AND METHODS OF USE THEREOF RGENTA THERAPEUTICS, INC. (US) 2025-05-30 WO disclosed