SCHEMBL4794016

SCHEMBL4794016

CN(C)c1c[c]cc(-c2cccc3[nH]ccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.48
ASH1L Q9NR48 1/20 0.45
PIK3CB P42338 2/20 0.43
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
PIK3CG P48736 1/20 0.42
HPGDS O60760 3/20 0.40
PIP4K2A P48426 1/20 0.39
PIP4K2B P78356 1/20 0.39
PIP4K2C Q8TBX8 1/20 0.39
CHEK1 O14757 1/20 0.37
AHR P35869 1/20 0.37
DHFR P00374 1/20 0.36
CHRNA7 P36544 2/20 0.36
KCNH2 Q12809 2/20 0.36
FTO Q9C0B1 1/20 0.36
ATM Q13315 1/20 0.35
MAPK14 Q16539 3/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL7089562 0.80 PIK3CD (0.58) PIK3CDASH1LPIK3CBCSNK2BCSNK2A1
SCHEMBL3937493 0.79 PIK3CD (0.50) PIK3CDASH1LPIK3CBCSNK2BCSNK2A1
SCHEMBL3936500 0.73 PIK3CD (0.54) PIK3CDASH1LPIK3CBCSNK2BCSNK2A1
SCHEMBL10945814 0.72 PIK3CD (0.75) PIK3CDASH1LPIK3CBCSNK2BCSNK2A1
SCHEMBL2156317 0.72 PIK3CD (0.64) PIK3CDASH1LPIK3CBCSNK2BCSNK2A1
SCHEMBL27454514 0.70 PIK3CD (0.57) PIK3CDASH1LPIK3CBCSNK2BCSNK2A1
SCHEMBL20540332 0.70 PIK3CD (0.64) PIK3CDASH1LPIK3CBCSNK2BCSNK2A1
SCHEMBL23259083 0.69 ASH1L (0.59) PIK3CDASH1LPIK3CBCSNK2BCSNK2A1
SCHEMBL6322509 0.69 ASH1L (0.59) PIK3CDASH1LPIK3CBCSNK2BCSNK2A1
SCHEMBL2193011 0.69 PIK3CD (0.70) PIK3CDASH1LPIK3CBCSNK2BCSNK2A1

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-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed