SCHEMBL31661201

SCHEMBL31661201

C[C@H](C#N)Nc1ccncc1C(=O)NC1CCC(CCO)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.40
▸ CRHR1 P34998 1/20 0.40
▸ IRAK4 Q9NWZ3 13/20 0.39
▸ TGFBR1 P36897 3/20 0.37
▸ ACVR1B P36896 1/20 0.37
▸ ACVRL1 P37023 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL30545154 0.80 IRAK4 (0.44) CRHR1IRAK4TGFBR1ACVR1BACVRL1
SCHEMBL31661162 0.73 IRAK4 (0.71) IRAK4
SCHEMBL30545168 0.71 IRAK4 (0.45) IRAK4
SCHEMBL13162007 0.66 SIRT3 (0.53) CRHR1
SCHEMBL19691289 0.65 PKM (0.47) —
SCHEMBL15651270 0.64 SMYD3 (0.49) TGFBR1ACVRL1
SCHEMBL21041584 0.62 DRD3 (0.61) —
SCHEMBL15110200 0.62 AOC1 (0.50) IRAK4TGFBR1ACVR1BCYP3A4
SCHEMBL14284660 0.62 HPGDS (0.49) CRHR1
SCHEMBL13162024 0.61 RAB9A (0.57) —

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-2025151602-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-07-17 — — WO disclosed
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