SCHEMBL31456259

SCHEMBL31456259

Nc1cc(-c2cccc3[nH]ccc23)cc(N)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.58
PIK3CB P42338 4/20 0.55
ASH1L Q9NR48 1/20 0.54
PIK3CG P48736 2/20 0.54
CSNK2B P67870 1/20 0.54
CSNK2A1 P68400 1/20 0.54
DHFR P00374 1/20 0.49
ATR Q13535 1/20 0.45
PIP4K2A P48426 1/20 0.43
PIP4K2B P78356 1/20 0.43
PIP4K2C Q8TBX8 1/20 0.43
CHEK1 O14757 1/20 0.43
HPGDS O60760 1/20 0.42
PIK3CA P42336 3/20 0.42
AHR P35869 1/20 0.42
FTO Q9C0B1 1/20 0.41
PIM1 P11309 2/20 0.41
GSK3B P49841 2/20 0.41
ABL1 P00519 1/20 0.41
S1PR1 P21453 1/20 0.40

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
SCHEMBL982028 0.78 ASH1L (0.63) PIK3CDPIK3CBASH1LPIK3CGCSNK2B
SCHEMBL10945814 0.78 PIK3CD (0.75) PIK3CDPIK3CBASH1LPIK3CGCSNK2B
SCHEMBL5830148 0.78 PIK3CD (0.55) PIK3CDPIK3CBASH1LPIK3CGCSNK2B
SCHEMBL5830444 0.77 PIK3CD (0.58) PIK3CDPIK3CBASH1LPIK3CGCSNK2B
SCHEMBL6322590 0.76 PIK3CD (0.57) PIK3CDPIK3CBASH1LPIK3CGCSNK2B
SCHEMBL27454514 0.76 PIK3CD (0.57) PIK3CDPIK3CBASH1LPIK3CGCSNK2B
SCHEMBL29495750 0.75 DHFR (0.51) PIK3CDPIK3CBASH1LPIK3CGCSNK2B
SCHEMBL22969607 0.75 DHFR (0.51) PIK3CDPIK3CBASH1LPIK3CGCSNK2B
SCHEMBL20540332 0.75 PIK3CD (0.64) PIK3CDPIK3CBASH1LPIK3CGCSNK2B
SCHEMBL462495 0.75 PIK3CD (0.64) PIK3CDPIK3CBASH1LPIK3CGCSNK2B

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
CN-119528887-A Compounds for promoting degradation of tubulin and application thereof 四川大学华西医院 2025-02-28 CN disclosed