SCHEMBL30100780

SCHEMBL30100780

N#Cc1ccc2ccc(Nc3ccc4c(c3)CCC(=O)N4)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 9/20 0.48
▸ BCL6 P41182 4/20 0.48
▸ TNIK Q9UKE5 3/20 0.47
▸ CRBN Q96SW2 1/20 0.44
▸ ULK1 O75385 1/20 0.43
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL26086593 1.00 KIF11 (0.48) KIF11BCL6TNIKCRBNULK1
SCHEMBL23674829 0.93 KIF11 (0.47) KIF11BCL6TNIKCRBNULK1
SCHEMBL30100724 0.83 KIF11 (0.51) KIF11TNIKCRBNULK1PKM
SCHEMBL23674945 0.83 KIF11 (0.51) KIF11TNIKCRBNULK1PKM
SCHEMBL30100766 0.83 KIF11 (0.53) KIF11TNIKCRBNULK1PKM
SCHEMBL23674979 0.83 KIF11 (0.53) KIF11TNIKCRBNULK1PKM
SCHEMBL23674869 0.80 BCL6 (0.50) KIF11BCL6TNIKCRBNULK1
SCHEMBL26089507 0.78 KIF11 (0.50) KIF11TNIKCRBNULK1PKM
SCHEMBL2015376 0.77 NPC1 (0.50) KIF11CRBNPKM
SCHEMBL30100790 0.77 NPC1 (0.50) KIF11CRBNPKM

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-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 — — EP disclosed
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