SCHEMBL25816399

SCHEMBL25816399

NC(N)=C(/C=C(\N)c1ccccc1O)N1CCN(Cc2ccc(N3CCC(CN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.45
▸ DDB1 Q16531 7/20 0.45
▸ IKZF3 Q9UKT9 7/20 0.45
▸ AR P10275 3/20 0.42
▸ CDK9 P50750 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ EGFR P00533 2/20 0.40
▸ IRAK1 P51617 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ IRAK3 Q9Y616 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ ESR1 P03372 1/20 0.39

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
SCHEMBL25816414 0.83 CRBN (0.48) CRBNDDB1IKZF3ARCDK9
SCHEMBL25816349 0.80 ALDH1A1 (0.36) —
SCHEMBL24421574 0.79 CRBN (0.44) CRBNARCDK9BTKEGFR
SCHEMBL29597261 0.79 CRBN (0.54) CRBNDDB1IKZF3ARCDK9
SCHEMBL23134695 0.79 CRBN (0.58) CRBNDDB1IKZF3ARCDK9
SCHEMBL24918212 0.78 CRBN (0.41) CRBNDDB1IKZF3ARCDK9
SCHEMBL24918214 0.78 CRBN (0.47) CRBNDDB1IKZF3ARBTK
SCHEMBL22661322 0.77 CRBN (0.55) CRBNDDB1IKZF3ARCDK9
SCHEMBL22661395 0.77 CRBN (0.55) CRBNDDB1IKZF3ARCDK9
SCHEMBL23134596 0.76 CRBN (0.58) CRBNDDB1IKZF3ARCDK9

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-2023129506-A1 POTENT AND SELECTIVE SMARCA2 DEGRADING CHIMERIC MOLECULES AS CANCER THERAPEUTICS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-07-06 — — WO disclosed
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