SCHEMBL19623747

SCHEMBL19623747

Nc1ccc(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)cc1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.84
PIK3R1 P27986 6/20 0.74
PIK3CD O00329 1/20 0.62
PIK3C2B O00750 1/20 0.62
PIK3CB P42338 1/20 0.62
MTOR P42345 1/20 0.62
PIK3CG P48736 1/20 0.62

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
SCHEMBL19623448 0.91 PIK3CA (0.80) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL2376424 0.91 PIK3CA (1.00) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL2375992 0.90 PIK3CA (1.00) PIK3CAPIK3R1
SCHEMBL19623445 0.89 PIK3CA (0.76) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL2376686 0.89 PIK3CA (1.00) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL2377805 0.88 PIK3CA (0.76) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL3831716 0.88 PIK3CA (0.78) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL2376873 0.88 PIK3CA (0.76) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL2376712 0.87 PIK3CA (0.74) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL3234872 0.87 PIK3CA (0.81) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB

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