SCHEMBL24607774

SCHEMBL24607774

Cn1c(=O)[nH]c2ccc(C3=CCN(C(=O)OC(C)(C)C)C3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.42
▸ CNR1 P21554 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ CDK9 P50750 2/20 0.39
▸ TBK1 Q9UHD2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ GABRA4 P48169 1/20 0.38
▸ GABRE P78334 1/20 0.38
▸ GABRA6 Q16445 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
SCHEMBL29751413 1.00 PGR (0.42) PGRCNR1PDK4NAMPTCDK9
SCHEMBL30288955 0.90 NAMPT (0.49) CNR1PDK4NAMPTCDK9GABRP
SCHEMBL22619239 0.84 PDK4 (0.43) CNR1PDK4NAMPTCDK9TBK1
SCHEMBL30273513 0.82 PGR (0.39) PGRCNR1CDK9LMNAGABRP
SCHEMBL2636488 0.77 PDK4 (0.41) PDK4NAMPTGABRPGABRDGABRA1
SCHEMBL27025908 0.76 NAMPT (0.47) PDK4NAMPTGRM1CDK7CDK13
SCHEMBL22928167 0.76 NAMPT (0.41) CNR1PDK4NAMPTCDK9TBK1
SCHEMBL22619202 0.75 PIK3CD (0.43) PDK4NAMPTTBK1CDK7CDK13
SCHEMBL22619097 0.75 RIPK2 (0.42) PDK4NAMPTCDK9TBK1GABRP
SCHEMBL31749310 0.75 NAMPT (0.40) PDK4NAMPTCDK9TBK1GABRP

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-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 — — WO disclosed
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