SCHEMBL24865643

SCHEMBL24865643

CNc1cc(Nc2ccc(N3CCC(F)(F)CC3)cc2)ccc1N(C)N=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
SYK P43405 3/20 0.34
TNNI3K Q59H18 1/20 0.32
WEE1 P30291 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
NR4A1 P22736 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
BTK Q06187 1/20 0.30
TYK2 P29597 1/20 0.30

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
SCHEMBL24865658 0.86 SYK (0.34) SYKKDM4EMEN1ALDH1A1GAA
SCHEMBL24865300 0.82 CNR2 (0.34) KDM4EMAPT
SCHEMBL24865791 0.74 HRH3 (0.35) SYKBTK
SCHEMBL24865739 0.73 ENPP2 (0.40) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL24865601 0.72 MEN1 (0.31) MEN1ALDH1A1MAPTALOX15KMT2A
SCHEMBL24865708 0.71 MEN1 (0.33) KDM4EMEN1ALDH1A1MAPTALOX15
SCHEMBL24865688 0.71 EGFR (0.47) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL24865767 0.68 SYK (0.38) SYKKDM4EMEN1ALDH1A1GAA
SCHEMBL24865642 0.68 BCL6 (0.47) PDGFRBPDGFRAALDH1A1GAA
SCHEMBL24865609 0.66 MAPT (0.51) KDM4EMEN1ALDH1A1GAAMAPT

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-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed