SCHEMBL29066259

SCHEMBL29066259

COc1nc(-c2cccc3c2OCCO3)ccc1Nc1ccc(CNCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRAS P01112 1/20 0.62
KRAS P01116 1/20 0.62
CD274 Q9NZQ7 18/20 0.43
PDCD1 Q15116 9/20 0.43
PDCD1LG2 Q9BQ51 9/20 0.40
BRD4 O60885 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
SCHEMBL21207104 0.93 HRAS (0.66) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL30913765 0.93 HRAS (0.66) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL24329998 0.87 HRAS (0.68) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL29582873 0.87 HRAS (0.68) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL21201481 0.85 HRAS (0.57) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL21207018 0.84 HRAS (0.58) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL30222551 0.84 HRAS (0.58) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL21206993 0.83 HRAS (0.59) HRASKRASCD274PDCD1BRD4
SCHEMBL30222588 0.83 HRAS (0.59) HRASKRASCD274PDCD1BRD4
SCHEMBL30913745 0.81 HRAS (0.54) HRASKRASCD274PDCD1PDCD1LG2

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
CN-116723839-A Tricyclic heterobifunctional compounds for degrading target proteins C4医药公司 2023-09-08 CN disclosed