SCHEMBL29446334

SCHEMBL29446334

CCCn1c(=O)c2cccc(F)c2n2c(SC)nnc12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.59
TSHR P16473 7/20 0.52
GAA P10253 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 2/20 0.47
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL24324040 1.00 PLK1 (0.59) PLK1TSHRGAASMN1; SMN2HSD17B10
SCHEMBL26851612 0.93 PLK1 (0.52) PLK1TSHRGAASMN1; SMN2HSD17B10
SCHEMBL29446367 0.92 PLK1 (0.56) PLK1TSHRGAASMN1; SMN2HSD17B10
SCHEMBL29446345 0.92 PLK1 (0.60) PLK1TSHRGAASMN1; SMN2HSD17B10
SCHEMBL24324794 0.92 PLK1 (0.60) PLK1TSHRGAASMN1; SMN2HSD17B10
SCHEMBL26851696 0.90 PLK1 (0.58) PLK1TSHRGAASMN1; SMN2HSD17B10
SCHEMBL29446474 0.89 TSHR (0.61) PLK1TSHRGAASMN1; SMN2HSD17B10
SCHEMBL26851738 0.89 TSHR (0.61) PLK1TSHRGAASMN1; SMN2HSD17B10
SCHEMBL24324355 0.89 PLK1 (0.51) PLK1TSHRGAASMN1; SMN2HSD17B10
SCHEMBL24324353 0.88 PLK1 (0.46) PLK1TSHRGAASMN1; SMN2HSD17B10

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