SCHEMBL23912243

SCHEMBL23912243

CCc1nc2cccc(CCCN3CC(F)(F)C3)c2c(=O)n1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.50
KCNH2 Q12809 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL23912303 0.88 PIK3CD (0.57) PIK3CDKCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL23912237 0.87 HRH3 (0.59) PIK3CDKCNH2HRH3
SCHEMBL17458419 0.85 PIK3CD (0.59) PIK3CD
SCHEMBL17458417 0.85 PIK3CD (0.59) PIK3CD
SCHEMBL23912265 0.84 PIK3CD (0.56) PIK3CDKCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL17458011 0.83 PIK3CD (0.58) PIK3CD
SCHEMBL23912317 0.82 PIK3CD (0.58) PIK3CDKCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL17458260 0.79 PIK3CD (0.68) PIK3CD
SCHEMBL17458441 0.79 PIK3CD (0.68) PIK3CD
SCHEMBL17458257 0.79 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