SCHEMBL28434584

SCHEMBL28434584

CC(C)(C)OC(=O)N1CCN(CCCCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP1LC3B Q9GZQ8 6/20 0.56
▸ PTK2 Q05397 1/20 0.53
▸ BRD4 O60885 5/20 0.50
▸ EGFR P00533 1/20 0.50
▸ CRBN Q96SW2 9/20 0.49

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
SCHEMBL30042075 0.89 MAP1LC3B (0.53) MAP1LC3BCRBN
SCHEMBL28909808 0.89 MAP1LC3B (0.53) MAP1LC3BCRBN
SCHEMBL23120514 0.88 CRBN (0.52) MAP1LC3BBRD4CRBN
SCHEMBL25539454 0.87 MAP1LC3B (0.59) MAP1LC3BBRD4CRBN
SCHEMBL30169800 0.87 CRBN (0.55) MAP1LC3BBRD4CRBN
SCHEMBL28428885 0.86 MAP1LC3B (0.57) MAP1LC3BPTK2BRD4EGFRCRBN
SCHEMBL29091122 0.86 CRBN (0.54) MAP1LC3BBRD4CRBN
SCHEMBL29091179 0.86 CRBN (0.54) MAP1LC3BBRD4CRBN
SCHEMBL30595224 0.86 CRBN (0.54) MAP1LC3BBRD4CRBN
SCHEMBL30575188 0.86 CRBN (0.54) MAP1LC3BBRD4CRBN

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
CN-113214227-A Heterocyclic compound and application thereof 上海青玄生物科技有限公司 2021-08-06 — — CN disclosed
CN-111285849-A Compound for targeted degradation of ALK, c-Met and ROS1 proteins and preparation method thereof 上海青东生物科技有限公司 2020-06-16 — — CN disclosed
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