SCHEMBL19623409

SCHEMBL19623409

CCc1ccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.80
PIK3R1 P27986 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
SCHEMBL2379223 0.90 PIK3CA (0.80) PIK3CAPIK3R1
SCHEMBL12246630 0.90 PIK3CA (0.80) PIK3CAPIK3R1
SCHEMBL2376678 0.89 PIK3CA (1.00) PIK3CAPIK3R1
Hydrochloric Acid SCHEMBL2377023 0.89 PIK3CA (0.78) PIK3CAPIK3R1
SCHEMBL2376756 0.86 PIK3CA (0.85) PIK3CAPIK3R1
SCHEMBL2376772 0.86 PIK3CA (0.89) PIK3CAPIK3R1
SCHEMBL19623710 0.85 PIK3CA (0.68) PIK3CAPIK3R1
SCHEMBL25405259 0.84 PIK3CA (0.89) PIK3CAPIK3R1
SCHEMBL30503095 0.84 PIK3CA (0.89) PIK3CAPIK3R1
SCHEMBL2376229 0.84 PIK3CA (1.00) 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