SCHEMBL29446346

SCHEMBL29446346

O=c1c2cccc(F)c2n2c(=S)[nH]nc2n1CCC(F)(F)F

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 20/20 0.76
APOBEC3G Q9HC16 4/20 0.50
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL26851689 1.00 PLK1 (0.76) PLK1APOBEC3GNPC1GAA
SCHEMBL29446335 0.86 PLK1 (1.00) PLK1APOBEC3GNPC1GAA
SCHEMBL24324406 0.86 PLK1 (1.00) PLK1APOBEC3GNPC1GAA
SCHEMBL24324376 0.85 PLK1 (1.00) PLK1APOBEC3GNPC1GAA
SCHEMBL24324351 0.85 PLK1 (0.87) PLK1APOBEC3GNPC1GAA
SCHEMBL24324354 0.84 PLK1 (0.69) PLK1APOBEC3GGAA
SCHEMBL29446391 0.84 PLK1 (0.69) PLK1APOBEC3GGAA
SCHEMBL26851614 0.84 PLK1 (0.87) PLK1APOBEC3GNPC1GAA
SCHEMBL24324352 0.84 PLK1 (0.76) PLK1APOBEC3GNPC1GAA
SCHEMBL26851713 0.84 PLK1 (0.72) PLK1APOBEC3GNPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4216958-A2 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2023-08-02 EP disclosed
WO-2022067100-A2 PLK1 POLO BOX DOMAIN INHIBITOR AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-03-31 WO disclosed