SCHEMBL24322012

SCHEMBL24322012

C=C(C1CCN(Cc2ccc(-n3c(O)nnc3-c3cc(C(C)C)c(O)cc3O)cc2)CC1)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 16/20 0.40
▸ HSP90AB1 P08238 4/20 0.40
▸ HSP90B1 P14625 2/20 0.37
▸ TRAP1 Q12931 2/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ PDK1 Q15118 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL24321302 0.92 HSP90AA1 (0.42) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
SCHEMBL15522473 0.89 HSP90AA1 (0.47) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
SCHEMBL30368851 0.89 HSP90AA1 (0.47) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
Piperazine SCHEMBL28333614 0.88 HSP90AA1 (0.46) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
Hydrochloric Acid SCHEMBL29529693 0.88 HSP90AA1 (0.46) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
Hydrochloric Acid SCHEMBL16569190 0.88 HSP90AA1 (0.46) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
SCHEMBL24321397 0.86 BRD4 (0.43) HSP90AA1HSP90AB1HSP90B1TRAP1BRD4
SCHEMBL24321371 0.85 BRD4 (0.42) HSP90AA1HSP90AB1HSP90B1TRAP1BRD4
SCHEMBL16981554 0.84 HSP90AA1 (0.42) HSP90AA1HSP90AB1HSP90B1TRAP1BRD4
SCHEMBL16569651 0.84 HSP90AA1 (0.44) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1

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-2022078414-A1 METHODS AND COMPOSITIONS FOR TARGETED PROTEIN DEGRADATION RANOK THERAPEUTICS (HANGZHOU) CO. LTD. (CN) 2022-04-21 — — WO disclosed
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