SCHEMBL23609484

SCHEMBL23609484

c1ncn(CCCNc2ccc(NCCC3CCCCC3)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.38
GSK3B P49841 2/20 0.38
CSNK2A2 P19784 1/20 0.38
FGFR2 P21802 1/20 0.38
KDR P35968 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
GSK3A P49840 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK1G2 P78368 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
CYP19A1 P11511 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL23609770 0.90 CSNK2A2 (0.38) HPGDSGSK3BCSNK2A2FGFR2KDR
SCHEMBL23608891 0.85 FPR3 (0.40) HPGDSGSK3BCSNK2A2FGFR2KDR
SCHEMBL6965842 0.78 CYP19A1 (0.54) GSK3BCSNK2A2FGFR2KDRCSNK1A1
SCHEMBL23609248 0.77 TLR8 (0.45) GSK3BCSNK2A2FGFR2KDRCSNK1A1
SCHEMBL23875506 0.77 MAPT (0.51) GSK3BCSNK2A2FGFR2KDRCSNK1A1
SCHEMBL23608951 0.76 CSNK2A2 (0.44) GSK3BCSNK2A2FGFR2KDRCSNK1A1
SCHEMBL4621542 0.76 NAMPT (0.46) GSK3BNAMPT
SCHEMBL23609170 0.73 CYP19A1 (0.39) HPGDSCYP19A1ALDH1A1CTSLCTSS
SCHEMBL23609486 0.73 LMNA (0.49) GSK3BCSNK2A2FGFR2KDRCSNK1A1
SCHEMBL23130390 0.69 KDM1A (0.51) ALDH1A1NAMPTNPSR1MEN1KMT2A

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-2021133689-A2 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-07-01 WO disclosed