SCHEMBL31331239

SCHEMBL31331239

Nc1nnc(-c2ccccc2O)cc1N1CCN(CC2CCN(C3CCN(c4ccc5c(c4)C(=O)N(N4CCC(=O)NC4=O)C5=O)CC3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 13/20 0.43
▸ SMARCA2 P51531 10/20 0.43
▸ SMARCA4 P51532 10/20 0.43
▸ NR1I2 O75469 4/20 0.42
▸ CRBN Q96SW2 3/20 0.40
▸ BTK Q06187 2/20 0.40
▸ IRAK1 P51617 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ IRAK3 Q9Y616 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ CDK9 P50750 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ NR1H2 P55055 2/20 0.35
▸ NR1H3 Q13133 1/20 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
SCHEMBL31331243 0.96 PBRM1 (0.47) PBRM1SMARCA2SMARCA4NR1I2CRBN
SCHEMBL31331277 0.92 CRBN (0.36) PBRM1SMARCA2SMARCA4NR1I2CRBN
SCHEMBL31331532 0.88 PBRM1 (0.37) PBRM1SMARCA2SMARCA4NR1I2CRBN
SCHEMBL31331283 0.85 PBRM1 (0.47) PBRM1SMARCA2SMARCA4NR1I2CRBN
SCHEMBL31331332 0.81 PBRM1 (0.51) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL31330765 0.79 PBRM1 (0.40) PBRM1SMARCA2SMARCA4NR1I2CRBN
SCHEMBL25816414 0.78 CRBN (0.48) CRBNBTKIRAK1IRAK4IRAK3
SCHEMBL23331392 0.75 CRBN (0.49) PBRM1SMARCA2SMARCA4CRBNBTK
SCHEMBL38664597 0.74 PBRM1 (0.60) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL18081213 0.74 PBRM1 (0.69) PBRM1SMARCA2SMARCA4NR1I2BRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024245443-A1 COMPOUND BASED ON OXOISOINDOLINYL SUBSTITUTED TETRAHYDRO-2-PYRIMIDONE, AND USE THEREOF 标新生物医药科技(上海)有限公司 2024-12-05 — — WO claimed
WO-2024245443-A1 COMPOUND BASED ON OXOISOINDOLINYL SUBSTITUTED TETRAHYDRO-2-PYRIMIDONE, AND USE THEREOF 标新生物医药科技(上海)有限公司 2024-12-05 — — WO disclosed
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