SCHEMBL16623122

SCHEMBL16623122

Cc1ccc(Nc2ncc(Cc3ccc(C(C)C=O)cc3)cc2-c2nc(C)nc3c2ncn3C2CCCCO2)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.42
YTHDC1 Q96MU7 1/20 0.37
PIK3CA P42336 8/20 0.35
MTOR P42345 4/20 0.35
PIK3CD O00329 3/20 0.33
PIK3CB P42338 3/20 0.33
PIK3CG P48736 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3R1 P27986 1/20 0.33
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
ALOX5 P09917 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL14806817 0.87 PIK3CA (0.48) FLT3YTHDC1PIK3CAMTORPIK3CD
SCHEMBL114841 0.80 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL114549 0.79 PIK3CA (0.59) FLT3YTHDC1PIK3CAMTORPIK3CD
SCHEMBL113367 0.78 PIK3CA (0.44) FLT3PIK3CAMTORPIK3CDPIK3CB
SCHEMBL114526 0.76 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL115335 0.75 FLT3 (0.47) FLT3PIK3CAMTOR
SCHEMBL115718 0.74 PIK3CA (0.45) FLT3PIK3CAMTORPIK3CDPIK3CB
SCHEMBL116174 0.74 PIK3CA (0.53) FLT3PIK3CAMTORPIK3CDPIK3CB
SCHEMBL116075 0.73 PIK3CA (0.51) FLT3YTHDC1PIK3CAMTORPIK3CD
SCHEMBL168592 0.73 PIK3CA (0.46) FLT3YTHDC1PIK3CAMTORPIK3CD

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
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed