Sugi Predict

Sugi Predict / Compounds / SCHEMBL30136048

SCHEMBL30136048

SCHEMBL30136048

COc1cc(C(=O)NC2CCN(C(=O)CCN3CCN(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 19/20 0.63
▸ BRD4 O60885 8/20 0.63
▸ BRDT Q58F21 2/20 0.63
▸ RAD52 P43351 1/20 0.50

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
SCHEMBL25034982 0.93 PLK1 (0.52) PLK1BRD4BRDT
SCHEMBL25034648 0.93 PLK1 (0.62) PLK1BRD4BRDT
SCHEMBL26812677 0.90 PLK1 (0.60) PLK1BRD4BRDTRAD52
SCHEMBL30606909 0.90 PLK1 (0.60) PLK1BRD4BRDTRAD52
SCHEMBL30135850 0.89 PLK1 (0.64) PLK1BRD4BRDTRAD52
SCHEMBL25034981 0.89 PLK1 (0.64) PLK1BRD4BRDTRAD52
SCHEMBL25035119 0.89 PLK1 (0.64) PLK1BRD4BRDTRAD52
SCHEMBL25024392 0.89 PLK1 (0.67) PLK1BRD4BRDTRAD52
SCHEMBL25819018 0.89 PLK1 (0.67) PLK1BRD4BRDTRAD52
SCHEMBL25024450 0.88 PLK1 (0.65) PLK1BRD4BRDTRAD52

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384520-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2024-06-19 — — EP disclosed
WO-2023017442-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 — — WO disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 — — WO disclosed