SCHEMBL25794181

SCHEMBL25794181

CCCSc1nc(NCCN)c2nnn(Cc3ccc(C(C)C)cc3)c2n1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ USP28 Q96RU2 1/20 0.84
▸ KMT2A Q03164 2/20 0.46
▸ KDM1A O60341 2/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ ABL1 P00519 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ P2RY12 Q9H244 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
SCHEMBL25794224 0.91 USP28 (1.00) USP28KMT2AKDM1AMEN1
SCHEMBL25827780 0.89 USP28 (0.85) USP28KMT2AKDM1AMEN1P2RY12
SCHEMBL25795471 0.89 USP28 (0.84) USP28KMT2AKDM1AMEN1P2RY12
SCHEMBL25795472 0.88 USP28 (0.83) USP28KMT2AKDM1AMEN1
SCHEMBL25819369 0.84 USP28 (0.77) USP28KMT2AKDM1AMEN1P2RY12
SCHEMBL25794117 0.83 USP28 (0.59) USP28KMT2AKDM1AMEN1P2RY12
SCHEMBL25794273 0.83 USP28 (0.57) USP28KMT2AMEN1
SCHEMBL25795470 0.83 USP28 (0.75) USP28KMT2AMEN1
SCHEMBL25794118 0.83 USP28 (0.77) USP28KMT2AMEN1
SCHEMBL25794195 0.81 USP28 (0.81) USP28KMT2AKDM1AMEN1

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-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 — — WO disclosed
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