SCHEMBL30765282

SCHEMBL30765282

Cn1cc(-c2cc3nccc(-c4cccc(S(=O)(=O)NCC(C)(C)O)c4)c3o2)cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 16/20 0.49
PIK3CA P42336 7/20 0.49
PIK3CD O00329 14/20 0.46
PIK3C3 Q8NEB9 3/20 0.46
PIK3CB P42338 10/20 0.41
MTOR P42345 4/20 0.40
IKBKB O14920 2/20 0.40
CHUK O15111 2/20 0.40
PIK3R2 O00459 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3R3 Q92569 1/20 0.40
PDE4D Q08499 1/20 0.40
NEK1 Q96PY6 1/20 0.39

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
SCHEMBL27260728 0.89 BRD4 (0.49) PIK3CGPIK3CAPIK3CDPIK3C3PIK3CB
SCHEMBL30765170 0.86 LOXL2 (0.41) PIK3CGPIK3CAPIK3CDPIK3CBIKBKB
SCHEMBL27260716 0.86 LOXL2 (0.41) PIK3CGPIK3CAPIK3CDPIK3CBIKBKB
SCHEMBL27260886 0.86 PIK3CD (0.48) PIK3CGPIK3CAPIK3CDPIK3C3PIK3CB
SCHEMBL30765392 0.86 PIK3CG (0.44) PIK3CGPIK3CAPIK3CDPIK3C3PIK3CB
SCHEMBL30765299 0.84 IRAK1 (0.41) PIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL27260895 0.84 PIK3CD (0.47) PIK3CGPIK3CAPIK3CDPIK3C3PIK3CB
SCHEMBL27260617 0.83 KCNH2 (0.47) PIK3CD
SCHEMBL27260812 0.80 IRAK1 (0.36) PIK3CGPIK3CA
SCHEMBL27260725 0.80 KCNH2 (0.40)

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
WO-2024033280-A1 FUROPYRIDIN AND FUROPYRIMIDIN, INHIBITORS OF PI4K, FOR USE IN THE TREATMENT OF PARASITE INFECTION AND MALARIA MERCK PATENT GMBH (DE) 2024-02-15 WO disclosed