SCHEMBL23912237

SCHEMBL23912237

CCc1nc2cccc(CCCN3CCCC3)c2c(=O)n1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.59
KCNH2 Q12809 11/20 0.59
PIK3CD O00329 8/20 0.53
ADRA1A P35348 2/20 0.46

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
SCHEMBL23912265 0.91 PIK3CD (0.56) HRH3KCNH2PIK3CD
SCHEMBL23912243 0.87 PIK3CD (0.50) HRH3KCNH2PIK3CD
SCHEMBL23912317 0.87 PIK3CD (0.58) HRH3KCNH2PIK3CD
SCHEMBL23912303 0.84 PIK3CD (0.57) HRH3KCNH2PIK3CD
SCHEMBL17458267 0.84 PIK3CD (0.67) HRH3KCNH2PIK3CD
SCHEMBL19924358 0.84 PIK3CD (0.67) HRH3KCNH2PIK3CD
SCHEMBL17458265 0.84 PIK3CD (0.67) HRH3KCNH2PIK3CD
SCHEMBL19924360 0.84 PIK3CD (0.67) HRH3KCNH2PIK3CD
SCHEMBL23912240 0.82 PIK3CD (0.55) HRH3KCNH2PIK3CD
SCHEMBL17458018 0.81 PIK3CD (0.64) 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