SCHEMBL25815259

SCHEMBL25815259

Nc1nnc(-c2ccccc2O)cc1N1CCN(Cc2ccc(N3CCC(CN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6O)CC4)CC3)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 16/20 0.43
▸ IKZF3 Q9UKT9 12/20 0.43
▸ DDB1 Q16531 9/20 0.43
▸ ADRA1D P25100 2/20 0.41
▸ ADRA1A P35348 2/20 0.41
▸ ADRA1B P35368 2/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ ESR1 P03372 1/20 0.39
▸ PBRM1 Q86U86 4/20 0.39
▸ SMARCA2 P51531 2/20 0.39
▸ SMARCA4 P51532 2/20 0.39
▸ BTK Q06187 1/20 0.37

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 0.90 CRBN (0.48) CRBNIKZF3DDB1ADRA1DADRA1A
SCHEMBL31101716 0.79 PBRM1 (0.47) CRBNIKZF3DDB1ADRA1DADRA1A
SCHEMBL25816369 0.78 PBRM1 (0.56) PBRM1SMARCA2SMARCA4
SCHEMBL24421474 0.77 CRBN (0.39) CRBNDDB1ESR1BTK
SCHEMBL25816186 0.77 CRBN (0.64) CRBNIKZF3DDB1ADRA1DADRA1A
SCHEMBL24421179 0.77 CRBN (0.40) CRBNIKZF3ESR1BTK
SCHEMBL24421451 0.76 CRBN (0.38) CRBNESR1BTK
SCHEMBL24420866 0.75 CRBN (0.38) CRBNDDB1ESR1BTK
SCHEMBL24421568 0.75 CRBN (0.37) CRBNESR1BTK
SCHEMBL31331243 0.75 PBRM1 (0.47) CRBNPBRM1SMARCA2SMARCA4BTK

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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