SCHEMBL21281367

SCHEMBL21281367

CN(Cc1c(C=O)cccc1NC(O)(O)c1ccc(CN2CCOCC2)cc1F)C1C(=O)NC(=O)C(O)(O)C1(O)O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 7/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ CCL2 P13500 1/20 0.31
▸ AURKA O14965 2/20 0.30
▸ CDK1 P06493 2/20 0.30
▸ CCNB1 P14635 2/20 0.30
▸ CDK2 P24941 2/20 0.30
▸ AURKB Q96GD4 2/20 0.30
▸ PDE2A O00408 2/20 0.30

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
SCHEMBL21281559 0.93 WDR5 (0.32) WDR5KDM4EPOLBBRD4CCL2
SCHEMBL21281337 0.85 BRD4 (0.32) KDM4EPOLBBRD4CCL2
SCHEMBL23939063 0.77 — —
SCHEMBL21281357 0.74 CRBN (0.39) WDR5
SCHEMBL19310208 0.72 POLB (0.35) POLB
SCHEMBL23939212 0.70 CRBN (0.39) KDM4EPOLBAURKACDK1CCNB1
SCHEMBL21281490 0.70 MAPK14 (0.33) —
SCHEMBL23939255 0.70 CXCR3 (0.32) WDR5AURKACDK1CCNB1CDK2
SCHEMBL21281543 0.69 BDKRB1 (0.34) WDR5AURKACDK1CCNB1CDK2
SCHEMBL20459091 0.66 RAB9A (0.37) —

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
EP-3527210-A1 COMPOSITION, APPLICATION THEREOF AND TREATMENT METHOD Kangpu Biopharmaceuticals, Ltd. (CN) 2019-08-21 — — EP disclosed
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