SCHEMBL19623593

SCHEMBL19623593

CC(=O)N1CCN(c2cc(N3CCc4c(-c5cccc(C)c5)nc(N5CCOCC5)nc43)ccn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.63

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
SCHEMBL2378446 0.92 PIK3CA (0.72) PIK3CA
SCHEMBL2377465 0.88 PIK3CA (0.71) PIK3CA
SCHEMBL2377316 0.83 PIK3CA (0.82) PIK3CA
SCHEMBL2378202 0.82 PIK3CA (0.77) PIK3CA
SCHEMBL12247649 0.81 PIK3CA (0.78) PIK3CA
SCHEMBL19623464 0.81 PIK3CA (0.80) PIK3CA
SCHEMBL2377183 0.80 PIK3CA (0.73) PIK3CA
SCHEMBL19623392 0.80 PIK3CA (0.64) PIK3CA
SCHEMBL3831151 0.80 PIK3CA (0.78) PIK3CA
Trifluoroacetic Acid SCHEMBL2377840 0.79 PIK3CA (0.69) 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 disclosed