SCHEMBL30320504

SCHEMBL30320504

Nc1ccc(-c2nn(C3CCC(O)CC3)c3ncnc(N)c23)cc1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 19/20 0.66
▸ PIK3CA P42336 18/20 0.66
▸ PIK3CB P42338 18/20 0.66
▸ PIK3CG P48736 18/20 0.66
▸ PRKDC P78527 18/20 0.66
▸ SRC P12931 18/20 0.66
▸ KDR P35968 18/20 0.66
▸ ABL1 P00519 17/20 0.66
▸ EGFR P00533 17/20 0.66
▸ HCK P08631 17/20 0.66
▸ MTOR P42345 17/20 0.66
▸ EPHB4 P54760 16/20 0.66
▸ PI4KB Q9UBF8 11/20 0.66
▸ BTK Q06187 1/20 0.57
▸ CDC7 O00311 1/20 0.57
▸ PLK4 O00444 1/20 0.57
▸ DYRK3 O43781 1/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ PRKD3 O94806 1/20 0.57
▸ MAP4K4 O95819 1/20 0.57

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
SCHEMBL24096515 1.00 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL24096758 0.94 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL29998830 0.94 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23997147 0.90 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30320600 0.90 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL5804210 0.87 SRC (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL24096530 0.86 SRC (0.66) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30320556 0.86 SRC (0.66) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL5804212 0.86 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL5804408 0.85 SRC (0.67) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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-4161933-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2023-04-12 — — EP disclosed
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