SCHEMBL25970683

SCHEMBL25970683

Cn1c(=O)[nH]c2cccc([C@H]3CCN(C(=O)OC(C)(C)C)CC3F)c21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
USP30 Q70CQ3 2/20 0.39
PIK3CD O00329 1/20 0.38
BTK Q06187 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
CCR5 P51681 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 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
SCHEMBL25339303 1.00 PARP1 (0.40) PARP1JAK2JAK1TYK2JAK3
SCHEMBL25970690 1.00 PARP1 (0.40) PARP1JAK2JAK1TYK2JAK3
SCHEMBL31314088 1.00 PARP1 (0.40) PARP1JAK2JAK1TYK2JAK3
SCHEMBL25970756 1.00 PARP1 (0.40) PARP1JAK2JAK1TYK2JAK3
SCHEMBL30543718 1.00 PARP1 (0.40) PARP1JAK2JAK1TYK2JAK3
SCHEMBL30543622 0.89 PARP1 (0.41) PARP1JAK2JAK1TYK2JAK3
SCHEMBL25339597 0.89 PARP1 (0.41) PARP1JAK2JAK1TYK2JAK3
SCHEMBL25969611 0.89 PARP1 (0.41) PARP1JAK2JAK1TYK2JAK3
SCHEMBL30543657 0.86 PARP1 (0.38) PARP1JAK2JAK1TYK2JAK3
SCHEMBL30543650 0.86 PARP1 (0.38) PARP1JAK2JAK1TYK2JAK3

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-2023147594-A2 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed