SCHEMBL19623686

SCHEMBL19623686

Cc1c(NC(=O)N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)cccc1C(O)N1CCN(C)CC1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.71
PIK3R1 P27986 13/20 0.71
PIK3CB P42338 2/20 0.52
PIK3CD O00329 1/20 0.48
PIK3C2B O00750 1/20 0.48
MTOR P42345 1/20 0.48
PIK3CG P48736 1/20 0.48

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
SCHEMBL2377638 0.86 PIK3CA (0.72) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2376337 0.84 PIK3CA (1.00) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2376984 0.83 PIK3CA (1.00) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2375233 0.82 PIK3CA (0.76) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2376584 0.81 PIK3CA (0.81) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2377851 0.80 PIK3CA (0.75) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2378190 0.80 PIK3CA (0.85) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL19623363 0.80 PIK3CA (0.82) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2376551 0.80 PIK3CA (0.82) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2378309 0.80 PIK3CA (0.82) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B

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