SCHEMBL16639102

SCHEMBL16639102

CC(C)(O)C1CCN(Cc2csc3c(-c4cnc(NN)nc4)nc(N4CCOCC4)nc23)CC1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.83
PIK3CA P42336 8/20 0.83

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
SCHEMBL16639129 0.91 PIK3CD (1.00) PIK3CDPIK3CA
SCHEMBL17994084 0.85 PIK3CD (0.80) PIK3CDPIK3CA
SCHEMBL17053384 0.83 PIK3CD (0.86) PIK3CDPIK3CA
SCHEMBL17951204 0.81 PIK3CD (0.81) PIK3CDPIK3CA
SCHEMBL17951228 0.81 PIK3CD (0.91) PIK3CD
SCHEMBL17951273 0.80 PIK3CD (1.00) PIK3CD
SCHEMBL17946270 0.79 PIK3CD (0.79) PIK3CDPIK3CA
SCHEMBL17951193 0.79 PIK3CD (1.00) PIK3CDPIK3CA
SCHEMBL16639070 0.78 PIK3CD (0.77) PIK3CDPIK3CA
SCHEMBL17946407 0.78 PIK3CD (1.00) PIK3CD

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-2860181-A1 FUSED PYRIMIDINE COMPOUND, AND PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USES THEREOF Shanghai Yingli Science and Technology Co., Ltd (CN) 2015-04-15 EP disclosed