SCHEMBL28776019

SCHEMBL28776019

CN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.58
DYRK1A Q13627 4/20 0.57
GSK3B P49841 2/20 0.57
ALDH1A1 P00352 4/20 0.52
MAPT P10636 4/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
RAD52 P43351 1/20 0.52
EIF2AK2 P19525 1/20 0.52
FLT3 P36888 3/20 0.51
POLB P06746 3/20 0.50
KMT2A Q03164 1/20 0.50
MAP4K4 O95819 1/20 0.49
NTRK1 P04629 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
LMNA P02545 1/20 0.47
CLK2 P49760 1/20 0.47
CLK3 P49761 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL29732863 1.00 CSNK2A1 (0.58) CSNK2A1DYRK1AGSK3BALDH1A1MAPT
SCHEMBL28775985 0.89 MAPT (0.61) CSNK2A1ALDH1A1MAPTFLT3POLB
SCHEMBL29732649 0.89 MAPT (0.61) CSNK2A1ALDH1A1MAPTFLT3POLB
SCHEMBL28776031 0.87 FLT3 (0.69) CSNK2A1DYRK1AGSK3BFLT3KMT2A
SCHEMBL29732806 0.87 FLT3 (0.69) CSNK2A1DYRK1AGSK3BFLT3KMT2A
SCHEMBL29732795 0.87 DYRK1A (0.64) CSNK2A1DYRK1AGSK3BFLT3MAP4K4
SCHEMBL28775983 0.87 DYRK1A (0.64) CSNK2A1DYRK1AGSK3BFLT3MAP4K4
SCHEMBL28776025 0.86 GSK3B (0.52) DYRK1AGSK3BALDH1A1MAPTOPRM1
SCHEMBL29733049 0.86 GSK3B (0.52) DYRK1AGSK3BALDH1A1MAPTOPRM1
SCHEMBL28775992 0.85 DYRK1A (0.61) DYRK1AGSK3BFLT3MAP4K4NTRK1

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
CN-114605329-B Substituted indazole carboxamides or substituted azaindazole carboxamides FLT3 inhibitors and uses thereof 河南中医药大学 2024-01-26 CN disclosed
CN-114605329-A Substituted indazole carboxamide or substituted azaindazole carboxamide FLT3 inhibitors and uses thereof 河南中医药大学 2022-06-10 CN disclosed