SCHEMBL22794856

SCHEMBL22794856

CN1CC(c2cnc(N3C4CCC3CN(c3cc(-c5ccccc5O)nnc3N)C4)nc2)C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 16/20 0.60
▸ SMARCA4 P51532 16/20 0.60
▸ PBRM1 Q86U86 17/20 0.52
▸ NR1I2 O75469 9/20 0.50
▸ BRD4 O60885 1/20 0.47
▸ NR1H2 P55055 4/20 0.47
▸ NR1H3 Q13133 3/20 0.46

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
SCHEMBL22794165 0.93 SMARCA2 (0.58) SMARCA2SMARCA4PBRM1NR1I2BRD4
SCHEMBL30796567 0.88 PBRM1 (0.57) SMARCA2SMARCA4PBRM1NR1I2BRD4
SCHEMBL22776334 0.88 PBRM1 (0.57) SMARCA2SMARCA4PBRM1NR1I2BRD4
SCHEMBL29704294 0.87 SMARCA2 (0.56) SMARCA2SMARCA4PBRM1NR1I2BRD4
SCHEMBL22777077 0.87 SMARCA2 (0.56) SMARCA2SMARCA4PBRM1NR1I2BRD4
SCHEMBL22777154 0.86 SMARCA2 (0.61) SMARCA2SMARCA4PBRM1NR1I2BRD4
SCHEMBL18081132 0.86 SMARCA2 (0.68) SMARCA2SMARCA4PBRM1NR1I2BRD4
SCHEMBL22776616 0.85 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1NR1I2BRD4
SCHEMBL29704275 0.85 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1NR1I2BRD4
SCHEMBL22776619 0.85 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1NR1I2BRD4

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-2020251971-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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