SCHEMBL20725680

SCHEMBL20725680

CCC(=O)N1CCN(Cc2csc3c(-c4cnc(N)nc4C)nc(N4CCOCC4)nc23)CC1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.80
PIK3CA P42336 14/20 0.80

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
SCHEMBL20725692 0.91 PIK3CD (0.86) PIK3CDPIK3CA
SCHEMBL16639081 0.89 PIK3CD (1.00) PIK3CDPIK3CA
SCHEMBL16639130 0.89 PIK3CD (1.00) PIK3CDPIK3CA
SCHEMBL16639079 0.88 PIK3CD (0.76) PIK3CDPIK3CA
SCHEMBL16639080 0.88 PIK3CD (0.76) PIK3CDPIK3CA
SCHEMBL16639069 0.86 PIK3CD (1.00) PIK3CDPIK3CA
SCHEMBL17053423 0.83 PIK3CD (0.73) PIK3CDPIK3CA
SCHEMBL16639109 0.83 PIK3CD (1.00) PIK3CDPIK3CA
SCHEMBL17946856 0.82 PIK3CD (0.82) PIK3CDPIK3CA
SCHEMBL20725707 0.82 PIK3CD (0.59) PIK3CDPIK3CA

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-B1 FUSED PYRIMIDINE COMPOUND, AND PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USES THEREOF SHANGHAI YINGLI PHARM CO LTD (CN) 2019-02-13 EP disclosed