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SCHEMBL3462237

SCHEMBL3462237

CNC(=O)c1nc(-c2cccc(CN[C@H]3CCc4ccccc4C3)c2)cnc1N.CNC(=O)c1nc(-c2cccc(CN[C@H]3c4ccccc4C[C@H]3O)c2)cnc1N

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 9/20 0.44
▸ PIK3CA P42336 9/20 0.44
▸ PIK3CG P48736 9/20 0.44
▸ PIK3CB P42338 7/20 0.42
▸ ATR Q13535 7/20 0.41
▸ TYRO3 Q06418 2/20 0.40
▸ ACVR1 Q04771 1/20 0.38
▸ GRIN2B Q13224 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
SCHEMBL3459761 0.93 PIK3CD (0.50) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3462033 0.93 PIK3CD (0.50) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460546 0.92 PIK3CD (0.51) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460066 0.92 PIK3CD (0.51) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461609 0.86 PIK3CD (0.55) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3462122 0.85 PIK3CD (0.47) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL13401188 0.84 ATR (0.43) PIK3CDPIK3CAPIK3CGATRTYRO3
SCHEMBL3460450 0.84 ATR (0.43) PIK3CDPIK3CAPIK3CGATRTYRO3
SCHEMBL3460200 0.83 PIK3CD (0.47) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460705 0.83 PIK3CD (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 — — US claimed