SCHEMBL19787858

SCHEMBL19787858

CC(c1nc2ccc(F)cc2c(C#N)c1-c1ccccc1)N1C(=O)c2ccccc2C1O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.49
PIK3CB P42338 16/20 0.49
PIK3CG P48736 16/20 0.49
PIK3CA P42336 14/20 0.49
CYP3A4 P08684 4/20 0.43
PDE10A Q9Y233 4/20 0.39
CYP2C9 P11712 2/20 0.39

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
SCHEMBL19787854 0.85 DHODH (0.41) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL2729395 0.83 PIK3CD (0.55) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL13063161 0.80 DHODH (0.33) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL19787862 0.80 PIK3CD (0.50) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL2717325 0.74 PIK3CD (0.65) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL2729852 0.70 DHODH (0.41) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL10120334 0.70 PIK3CD (0.47) PIK3CDCYP3A4CYP2C9
SCHEMBL13063145 0.69 DHODH (0.43)
SCHEMBL20072599 0.68 CYP3A4 (0.39) CYP3A4CYP2C9
SCHEMBL13062908 0.68 TDO2 (0.38) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4

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
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed