SCHEMBL2006201

SCHEMBL2006201

COc1ccc(Cc2cc3cnc(N)nc3n(C(C)C)c2=O)cn1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.50
MTOR P42345 4/20 0.50
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
DHFR P00374 2/20 0.38
HTT P42858 1/20 0.38
CSF1R P07333 1/20 0.38

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
SCHEMBL22200768 0.69 PIK3CA (0.42) PIK3CAMTORFGFR1FGFR2FGFR4
SCHEMBL29501260 0.68 NNMT (0.42) PIK3CADHFRHTTCSF1R
SCHEMBL5753276 0.68 CDK4 (0.45) FGFR1
SCHEMBL22200749 0.68 PIK3CA (0.56) PIK3CAMTORFGFR1FGFR2FGFR4
SCHEMBL2006204 0.67 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL22200607 0.65 PIK3CA (0.48) PIK3CAMTORFGFR1FGFR2FGFR4
SCHEMBL4283863 0.65 PIK3CA (0.48) PIK3CAMTORFGFR1FGFR2FGFR4
SCHEMBL5266289 0.65 CDK4 (0.57) FGFR1FGFR2FGFR4FGFR3
SCHEMBL25034118 0.64 ERN1 (0.50) PIK3CAMTORFGFR1FGFR2FGFR4
SCHEMBL3175950 0.63 CYP3A4 (0.50) PIK3CA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074122-B9 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PROD INC (US) 2013-09-11 EP disclosed
EP-2074122-B1 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PROD INC (US) 2011-06-29 EP disclosed