SCHEMBL31331532

SCHEMBL31331532

Nc1nnc(-c2cc(F)ccc2O)cc1N1CCN(CC2CCN(c3ccc4c(c3)C(=O)N(N3CCC(=O)NC3=O)C4=O)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 7/20 0.37
▸ SMARCA2 P51531 6/20 0.37
▸ SMARCA4 P51532 6/20 0.37
▸ EGFR P00533 5/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CRBN Q96SW2 3/20 0.35
▸ BTK Q06187 1/20 0.35
▸ NR1I2 O75469 2/20 0.35
▸ PLK4 O00444 1/20 0.35
▸ CDK9 P50750 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ AR P10275 1/20 0.33

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
SCHEMBL31331277 0.96 CRBN (0.36) PBRM1SMARCA2SMARCA4EGFRCDK1
SCHEMBL31331243 0.92 PBRM1 (0.47) PBRM1SMARCA2SMARCA4CRBNBTK
SCHEMBL31330765 0.88 PBRM1 (0.40) PBRM1SMARCA2SMARCA4CRBNBTK
SCHEMBL31331239 0.88 PBRM1 (0.43) PBRM1SMARCA2SMARCA4CRBNBTK
SCHEMBL31330889 0.86 PBRM1 (0.39) PBRM1SMARCA2SMARCA4CRBNNR1I2
SCHEMBL31331283 0.81 PBRM1 (0.47) PBRM1SMARCA2SMARCA4CRBNBTK
SCHEMBL38662829 0.79 PBRM1 (0.45) PBRM1SMARCA2SMARCA4NR1I2
SCHEMBL31331332 0.76 PBRM1 (0.51) PBRM1SMARCA2SMARCA4NR1I2
SCHEMBL25816414 0.76 CRBN (0.48) EGFRCRBNBTKPLK4CDK9
SCHEMBL31101071 0.76 PBRM1 (0.41) PBRM1SMARCA2SMARCA4CRBNNR1I2

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
Send feedback