SCHEMBL7913754

SCHEMBL7913754

CI(=O)(O)Nc1cc(-c2cnc3cc(Br)ccn23)cnc1Cl

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.49
MTOR P42345 13/20 0.47
FGFR3 P22607 4/20 0.39
KDR P35968 4/20 0.39
FLT3 P36888 1/20 0.35

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
SCHEMBL7900395 0.82 PIK3CA (0.72) PIK3CAMTORFGFR3KDRFLT3
SCHEMBL379791 0.81 PIK3CA (0.68) PIK3CAMTOR
SCHEMBL409921 0.79 PIK3CA (0.74) PIK3CAMTOR
SCHEMBL402628 0.79 PIK3CA (0.46) PIK3CAMTORFGFR3KDR
SCHEMBL410050 0.75 PIK3CD (0.43) PIK3CAMTORFGFR3KDRFLT3
SCHEMBL402271 0.65 PIK3CA (0.74) PIK3CAMTOR
SCHEMBL22726668 0.65 SIK1 (0.48) PIK3CAMTOR
SCHEMBL29845383 0.65 KDR (0.50) FGFR3KDRFLT3
SCHEMBL23162305 0.65 PIK3CA (0.49) PIK3CAMTORKDRFLT3
SCHEMBL380520 0.64 PIK3CA (1.00) PIK3CAMTORFGFR3KDRFLT3

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