SCHEMBL30985183

SCHEMBL30985183

Nc1ccc(N2CCN(CC3CCC4(CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6O)CC4)C3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 17/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ AR P10275 4/20 0.37
▸ BTK Q06187 3/20 0.36
▸ DDB1 Q16531 2/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ IRAK1 P51617 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ IRAK3 Q9Y616 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ ITK Q08881 2/20 0.35
▸ IKZF3 Q9UKT9 3/20 0.35

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
SCHEMBL30984870 0.94 CRBN (0.41) CRBNESR1ARBTKDDB1
SCHEMBL30985064 0.87 CRBN (0.42) CRBNESR1ARBTKDDB1
SCHEMBL30984709 0.85 CRBN (0.59) CRBNARBTKDDB1CDK9
SCHEMBL27344039 0.81 CRBN (0.50) CRBNARDDB1IKZF3
SCHEMBL30984742 0.80 CRBN (0.61) CRBNARBTKDDB1CDK9
SCHEMBL21480820 0.79 CRBN (0.50) CRBNESR1DDB1IKZF3
SCHEMBL30984876 0.78 CRBN (0.42) CRBNARDDB1ALKIKZF3
SCHEMBL30985086 0.77 CRBN (0.43) CRBNARDDB1IRAK1IRAK4
SCHEMBL30985067 0.77 CRBN (0.51) CRBNESR1ARDDB1IKZF3
SCHEMBL22873398 0.75 CRBN (0.54) CRBNDDB1IKZF3

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-2024146502-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-07-11 — — WO disclosed
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