SCHEMBL19623733

SCHEMBL19623733

CNc1cccc(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)c1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.74
PIK3R1 P27986 5/20 0.69
PIK3CD O00329 1/20 0.56
PIK3C2B O00750 1/20 0.56
PIK3CB P42338 1/20 0.56
MTOR P42345 1/20 0.56
PIK3CG P48736 1/20 0.56

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
SCHEMBL2376243 0.89 PIK3CA (0.69) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL2377374 0.89 PIK3CA (0.68) PIK3CAPIK3R1
SCHEMBL3234872 0.88 PIK3CA (0.81) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL19623756 0.86 PIK3CA (0.78) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL2376424 0.85 PIK3CA (1.00) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL2375505 0.85 PIK3CA (0.78) PIK3CAPIK3R1
SCHEMBL3234847 0.83 PIK3CA (0.79) PIK3CAPIK3R1
SCHEMBL19623559 0.83 PIK3CA (0.74) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL2377337 0.83 PIK3CA (0.75) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL19611248 0.82 PIK3CA (0.69) PIK3CAPIK3R1

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
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed