SCHEMBL30520258

SCHEMBL30520258

Nc1nnc(-c2ccccc2O)cc1-c1ccc(NC2CCN(CC(=O)O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 15/20 0.53
▸ SMARCA2 P51531 14/20 0.53
▸ SMARCA4 P51532 14/20 0.53
▸ NR1I2 O75469 9/20 0.53
▸ BRD4 O60885 1/20 0.53
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ NR1H2 P55055 4/20 0.41
▸ NR1H3 Q13133 3/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ PDE4B Q07343 1/20 0.40
▸ IKBKB O14920 1/20 0.40

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
SCHEMBL25347846 1.00 PBRM1 (0.53) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL30520235 0.87 SMARCA2 (0.50) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL25347731 0.87 SMARCA2 (0.50) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL27024902 0.85 SCN9A (0.41) ITGB3ITGA2BSCN9APDE4B
Hydrochloric Acid SCHEMBL30520261 0.84 PBRM1 (0.55) PBRM1SMARCA2SMARCA4NR1I2BRD4
Hydrochloric Acid SCHEMBL25348521 0.84 PBRM1 (0.55) PBRM1SMARCA2SMARCA4NR1I2BRD4
Hydrochloric Acid SCHEMBL25269565 0.84 SCN9A (0.41) ITGB3ITGA2BSCN9APDE4B
SCHEMBL30520294 0.83 SMARCA2 (0.58) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL25349652 0.83 SMARCA2 (0.58) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL23772810 0.79 PBRM1 (0.49) 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
EP-4476225-A1 3-SUBSTITUTED PYRIDAZINE COMPOUNDS AS SMARCA2 AND/OR SMARCA4 DEGRADERS Aurigene Oncology Limited (IN) 2024-12-18 — — EP disclosed
CN-118871440-A 3-Substituted pyridazine compounds as SMARCA2 and/or SMARCA4 degrading agents 奥瑞基尼肿瘤有限公司 2024-10-29 — — CN disclosed
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