SCHEMBL29446376

SCHEMBL29446376

CCCn1c(=O)c2ccccc2n2c(=S)n(CN(CC)CC3CC3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 1.00
APOBEC3G Q9HC16 5/20 0.48
GAA P10253 3/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL24324927 0.85 PLK1 (0.73) PLK1APOBEC3GGAANPC1SMN1; SMN2
SCHEMBL24324393 0.83 PLK1 (1.00) PLK1APOBEC3GGAANPC1SMN1; SMN2
SCHEMBL24324227 0.80 PLK1 (1.00) PLK1APOBEC3GGAANPC1SMN1; SMN2
SCHEMBL24324056 0.73 PLK1 (0.64) PLK1APOBEC3GGAANPC1SMN1; SMN2
SCHEMBL24324204 0.70 PLK1 (1.00) PLK1APOBEC3GGAANPC1SMN1; SMN2
SCHEMBL24324198 0.66 PLK1 (1.00) PLK1APOBEC3GGAANPC1
SCHEMBL29446363 0.65 PLK1 (0.58) PLK1APOBEC3GGAANPC1SMN1; SMN2
SCHEMBL8649693 0.64 PLK1 (0.52) PLK1APOBEC3GGAANPC1SMN1; SMN2
SCHEMBL24324739 0.62 PLK1 (0.74) PLK1GAASMN1; SMN2TSHRUSP2
SCHEMBL11085909 0.62 ALDH1A1 (0.84) PLK1APOBEC3GGAANPC1SMN1; SMN2

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