SCHEMBL24619696

SCHEMBL24619696

COC(=O)c1cc(C)nc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
ROCK1 Q13464 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
DGAT1 O75907 1/20 0.33
KMT2A Q03164 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
EGFR P00533 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
PLIN1 O60240 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL29727245 1.00 KDM4E (0.36) KDM4EALDH1A1HPGDL3MBTL1IDO1
SCHEMBL24619157 0.83 PSMD14 (0.42) KDM4EROCK1GSK3AGSK3BDGAT1
SCHEMBL29727230 0.83 PSMD14 (0.42) KDM4EROCK1GSK3AGSK3BDGAT1
SCHEMBL29684436 0.82 IDO1 (0.33) IDO1TDO2ROCK1EGFR
SCHEMBL24619125 0.82 IDO1 (0.33) IDO1TDO2ROCK1EGFR
SCHEMBL27433795 0.79 ROCK1 (0.37) ROCK1DGAT1PDGFRBKDRBACE1
SCHEMBL17069695 0.77 KDM4E (0.38) KDM4EALDH1A1HPGDL3MBTL1DGAT1
SCHEMBL26630556 0.77 ROCK1 (0.38) KDM4EALDH1A1HPGDROCK1DGAT1
SCHEMBL24619120 0.77 IDO1 (0.33) IDO1TDO2ROCK1EGFR
SCHEMBL24619653 0.77 KDM4E (0.43) KDM4EALDH1A1HPGDL3MBTL1KMT2A

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-2022149057-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-07-14 WO disclosed