SCHEMBL24501045

SCHEMBL24501045

CN1C(=O)CCC(N2C(=O)c3ccc(N4CCN(CCC5CCN(C(=O)OC(C)(C)C)CC5)CC4)cc3C2=O)C1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IRAK1 P51617 2/20 0.53
▸ IRAK3 Q9Y616 2/20 0.53
▸ GPR119 Q8TDV5 14/20 0.43
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ NTRK3 Q16288 1/20 0.41
▸ HASPIN Q8TF76 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ CDK19 Q9BWU1 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ TGFBR1 P36897 2/20 0.40
▸ RAF1 P04049 2/20 0.40

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
SCHEMBL29648294 1.00 IRAK1 (0.53) IRAK1IRAK3GPR119CCNCCDK8
SCHEMBL30962354 0.94 IRAK1 (0.47) IRAK1IRAK3GPR119CRBNIRAK4
SCHEMBL27466428 0.94 IRAK1 (0.47) IRAK1IRAK3GPR119CRBNIRAK4
SCHEMBL30694690 0.91 GPR119 (0.45) IRAK1IRAK3GPR119CRBN
SCHEMBL21907830 0.91 GPR119 (0.45) IRAK1IRAK3GPR119CRBN
SCHEMBL30962346 0.87 IRAK1 (0.43) IRAK1IRAK3GPR119CRBNIRAK4
SCHEMBL31620804 0.86 CRBN (0.57) IRAK1IRAK3CCNCCDK8NTRK3
SCHEMBL22291403 0.86 CRBN (0.57) IRAK1IRAK3CCNCCDK8NTRK3
SCHEMBL29648407 0.86 CRBN (0.57) IRAK1IRAK3CCNCCDK8NTRK3
SCHEMBL24501945 0.86 CRBN (0.57) IRAK1IRAK3CCNCCDK8NTRK3

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-2022120355-A1 TEAD DEGRADERS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
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