SCHEMBL23912817

SCHEMBL23912817

Clc1ncc(Br)cc1NSc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.35
PIK3CD O00329 4/20 0.35
PIK3CG P48736 3/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3R1 P27986 1/20 0.34
MTOR P42345 1/20 0.34
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PRKCG P05129 1/20 0.34
INSR P06213 1/20 0.34
CDK1 P06493 1/20 0.34
FES P07332 1/20 0.34
IGF1R P08069 1/20 0.34
ROS1 P08922 1/20 0.34
FGFR1 P11362 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
SCHEMBL20924242 0.78 MAPT (0.37) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL5511635 0.76 ALK (0.45) ALPLPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL22246876 0.75 PIK3CD (0.63) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL21513586 0.73 OPRK1 (0.33)
SCHEMBL20924105 0.73 NPC1 (0.38) ALPLPIK3CDPIK3CAMTORALDH1A1
SCHEMBL9953579 0.72 ALDH1A1 (0.38) ALPLPLK4AURKAJAK2ROCK2
SCHEMBL22246975 0.72 PIK3CG (0.42) ALPLPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL22246887 0.71 NPC1 (0.46) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL731743 0.70 PIK3CD (0.70) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL22246978 0.69 PIK3CD (0.41) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1

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-3094325-B1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-10-13 EP disclosed