SCHEMBL19611148

SCHEMBL19611148

Cc1cc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)cc(O)c1N1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.65
PIK3R1 P27986 1/20 0.49

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
SCHEMBL19611157 0.99 PIK3CA (0.66) PIK3CAPIK3R1
SCHEMBL2376432 0.86 PIK3CA (0.73) PIK3CAPIK3R1
SCHEMBL19623606 0.80 PIK3CA (0.64) PIK3CAPIK3R1
SCHEMBL2376234 0.80 PIK3CA (0.65) PIK3CAPIK3R1
SCHEMBL12246544 0.80 PIK3CA (0.73) PIK3CAPIK3R1
SCHEMBL2376678 0.80 PIK3CA (1.00) PIK3CAPIK3R1
SCHEMBL2376756 0.79 PIK3CA (0.85) PIK3CAPIK3R1
SCHEMBL2376898 0.79 PIK3CA (0.66) PIK3CAPIK3R1
SCHEMBL2378701 0.79 PIK3CA (0.82) PIK3CAPIK3R1
SCHEMBL2378525 0.78 PIK3CA (1.00) PIK3CA

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 claimed