SCHEMBL19623536

SCHEMBL19623536

CCCCNc1cc(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)ccn1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.65
PIK3R1 P27986 6/20 0.59
PIK3CD O00329 1/20 0.51
PIK3C2B O00750 1/20 0.51
PIK3CB P42338 1/20 0.51
MTOR P42345 1/20 0.51
PIK3CG P48736 1/20 0.51

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
SCHEMBL2378620 0.92 PIK3CA (0.65) PIK3CAPIK3R1
SCHEMBL2379236 0.91 PIK3CA (0.62) PIK3CAPIK3R1
SCHEMBL2377764 0.91 PIK3CA (0.64) PIK3CAPIK3R1
SCHEMBL2377504 0.90 PIK3CA (0.67) PIK3CAPIK3R1
SCHEMBL2376397 0.86 PIK3CA (0.64) PIK3CAPIK3R1
SCHEMBL19623862 0.86 PIK3CA (0.60) PIK3CAPIK3R1
SCHEMBL2378952 0.83 PIK3CA (0.64) PIK3CAPIK3R1
SCHEMBL2378038 0.81 PIK3CA (0.78) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL3830038 0.80 PIK3CA (0.70) PIK3CAPIK3CBPIK3CG
SCHEMBL2376212 0.80 PIK3CA (0.67) PIK3CAPIK3R1PIK3CB

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