SCHEMBL17338359

SCHEMBL17338359

NCCCc1nc2cccc(Cl)c2c(=O)n1N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.52
PIK3R2 O00459 7/20 0.42
FAAH O00519 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL17338237 0.89 PIK3CD (0.50) PIK3CDPIK3R2SIGMAR1
SCHEMBL17338243 0.87 PIK3CD (0.52) PIK3CDPIK3R2FAAHSIGMAR1
SCHEMBL17338181 0.86 PIK3CD (0.53) PIK3CDPIK3R2SIGMAR1
SCHEMBL17338200 0.80 PIK3CD (0.54) PIK3CDPIK3R2
SCHEMBL17338353 0.80 PIK3CD (0.71) PIK3CDPIK3R2
SCHEMBL17330688 0.80 PIK3CD (0.65) PIK3CDPIK3R2
SCHEMBL17330687 0.80 PIK3CD (0.65) PIK3CDPIK3R2
SCHEMBL17338152 0.77 PIK3CD (0.50) PIK3CDPIK3R2FAAHALDH1A1
SCHEMBL17338314 0.76 PIK3CD (0.53) PIK3CDPIK3R2
SCHEMBL17338222 0.76 PIK3CD (0.47) PIK3CDPIK3R2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154958-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Gilead Sciences, Inc. (US) 2017-04-19 EP disclosed
WO-2015191752-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2015-12-17 WO disclosed