SCHEMBL20961972

SCHEMBL20961972

CC(=O)C(=O)N1CCN(CCc2nc(C(C)Nc3ncnc4[nH]cnc34)cc3cccc(Cl)c23)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.37
PIK3CG P48736 3/20 0.37
ABCB11 O95342 1/20 0.37
TBXA2R P21731 1/20 0.37
PIK3R1 P27986 1/20 0.37
HTR2A P28223 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PDE3A Q14432 1/20 0.37
PIK3R2 O00459 11/20 0.37
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34

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
SCHEMBL14329208 0.94 PIK3CD (0.38) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL15888075 0.91 PIK3CD (0.37) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL14329230 0.89 PIK3CD (0.41) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL14329209 0.89 PIK3CD (0.41) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL14329181 0.89 PIK3CD (0.40) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL14329210 0.87 PIK3CD (0.40) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL4569302 0.86 PIK3CD (0.47) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL14329176 0.86 PIK3CD (0.47) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL14329182 0.84 PIK3CD (0.39) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL4569325 0.84 PIK3CD (0.39) PIK3CDPIK3CGABCB11TBXA2RPIK3R1

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-2427195-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2019-05-01 EP disclosed