SCHEMBL20726016

SCHEMBL20726016

C[C@H](Nc1nc(N)nc2c1NCN2)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.56
PIK3CG P48736 13/20 0.56
PIK3R1 P27986 11/20 0.56
PIK3CA P42336 3/20 0.56
PIK3CB P42338 3/20 0.56
ABCB11 O95342 1/20 0.56
TBXA2R P21731 1/20 0.56
HTR2A P28223 1/20 0.56
PDE3A Q14432 1/20 0.56
PIK3R2 O00459 3/20 0.50

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
SCHEMBL20061490 0.84 PIK3CD (0.54) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL20061616 0.84 PIK3CD (0.54) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL15816351 0.83 PIK3CD (0.72) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL15816350 0.83 PIK3CD (0.72) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL12688658 0.82 PIK3CD (0.60) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL9884034 0.81 PIK3CD (0.62) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL14649443 0.81 PIK3CD (0.60) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL14730049 0.80 PIK3CD (0.61) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL14649365 0.80 PIK3CD (0.61) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL20061389 0.80 PIK3CD (0.59) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB

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-3441392-A1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION Intellikine, LLC (US) 2019-02-13 EP disclosed