SCHEMBL3476586

SCHEMBL3476586

CN(C)S(=O)(=O)c1cc(-c2cnc3cc(-c4ccncc4)ccn23)cnc1Cl

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.74
MTOR P42345 7/20 0.74
KDR P35968 6/20 0.53
FLT3 P36888 6/20 0.48

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
SCHEMBL406625 0.89 PIK3CA (0.75) PIK3CAMTORKDRFLT3
SCHEMBL407547 0.85 PIK3CA (1.00) PIK3CAMTORKDRFLT3
SCHEMBL406624 0.75 PIK3CA (1.00) PIK3CAMTORKDRFLT3
SCHEMBL380381 0.71 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL5251631 0.70 KDR (1.00) KDRFLT3
SCHEMBL5248501 0.70 KDR (1.00) KDRFLT3
SCHEMBL17556158 0.70 KDR (0.69) PIK3CAMTORKDRFLT3
SCHEMBL3199909 0.69 KDR (0.64) PIK3CAMTORKDRFLT3
SCHEMBL409921 0.69 PIK3CA (0.74) PIK3CAMTOR
SCHEMBL381071 0.69 PIK3CA (1.00) PIK3CAMTOR

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-2010108074-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2010-09-23 WO disclosed