SCHEMBL25816369

SCHEMBL25816369

Nc1nnc(-c2ccccc2O)cc1N1CCN(Cc2ccc(N3CCC(CN4CCNCC4)CC3)c(F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 18/20 0.56
▸ SMARCA2 P51531 15/20 0.56
▸ SMARCA4 P51532 15/20 0.56
▸ NR1I2 O75469 9/20 0.47
▸ NR1H2 P55055 4/20 0.43
▸ NR1H3 Q13133 3/20 0.43
▸ BRD4 O60885 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL25816154 0.91 PBRM1 (0.69) PBRM1SMARCA2SMARCA4NR1I2NR1H2
SCHEMBL25816318 0.85 PBRM1 (0.65) PBRM1SMARCA2SMARCA4NR1I2NR1H2
SCHEMBL25816414 0.81 CRBN (0.48) —
SCHEMBL18081213 0.81 PBRM1 (0.69) PBRM1SMARCA2SMARCA4NR1I2NR1H2
SCHEMBL25816134 0.77 PBRM1 (0.74) PBRM1SMARCA2SMARCA4NR1I2NR1H2
SCHEMBL21673580 0.76 PBRM1 (0.64) PBRM1SMARCA2SMARCA4NR1I2NR1H2
SCHEMBL30606976 0.76 PBRM1 (0.69) PBRM1SMARCA2SMARCA4NR1I2NR1H2
SCHEMBL18081005 0.76 PBRM1 (0.69) PBRM1SMARCA2SMARCA4NR1I2NR1H2
SCHEMBL25816349 0.76 ALDH1A1 (0.36) ALDH1A1
SCHEMBL23303332 0.75 PBRM1 (0.59) PBRM1SMARCA2SMARCA4NR1I2NR1H2

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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