SCHEMBL23912260

SCHEMBL23912260

CCc1nc2c(F)ccc(CCCN3CCC(F)(F)C3)c2c(=O)n1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.59
KCNH2 Q12809 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KIF11 P52732 1/20 0.36
HKDC1 Q2TB90 1/20 0.36

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
SCHEMBL17457979 0.87 PIK3CD (0.69) PIK3CDKIF11
SCHEMBL17457976 0.87 PIK3CD (0.69) PIK3CDKIF11
SCHEMBL17458476 0.84 PIK3CD (0.68) PIK3CD
SCHEMBL23912243 0.78 PIK3CD (0.50) PIK3CDKCNH2HRH3SMN1; SMN2ALDH1A1
SCHEMBL17458487 0.76 PIK3CD (1.00) PIK3CD
SCHEMBL17458486 0.76 PIK3CD (1.00) PIK3CD
SCHEMBL17458365 0.75 PIK3CD (0.67) PIK3CDKCNH2HRH3
SCHEMBL17458367 0.75 PIK3CD (0.67) PIK3CDKCNH2HRH3
SCHEMBL17458257 0.74 PIK3CD (0.68) PIK3CD
SCHEMBL17458260 0.74 PIK3CD (0.68) 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-3160960-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-10-13 EP disclosed