SCHEMBL14237201

SCHEMBL14237201

CNC(=O)c1nc(-c2cccc(C(=O)NCc3ccc(F)c(C(F)(F)F)c3)c2)cnc1N

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.60
PIK3CA P42336 15/20 0.60
PIK3CG P48736 15/20 0.60
PIK3CB P42338 13/20 0.50
ATR Q13535 5/20 0.46
EGFR P00533 2/20 0.45
RAF1 P04049 2/20 0.45
MAPK1 P28482 2/20 0.45
MTOR P42345 2/20 0.45
MAP2K1 Q02750 2/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL3460680 0.91 PIK3CD (0.59) PIK3CDPIK3CAPIK3CGPIK3CBEGFR
SCHEMBL3459614 0.90 PIK3CD (0.57) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460635 0.89 PIK3CD (0.56) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460417 0.88 PIK3CD (0.55) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461419 0.88 PIK3CD (0.70) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461559 0.87 PIK3CD (0.56) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3462401 0.86 PIK3CD (0.59) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461401 0.86 PIK3CD (0.62) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461290 0.86 PIK3CD (0.70) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3462532 0.86 PIK3CD (0.58) PIK3CDPIK3CAPIK3CGPIK3CBATR

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-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed