SCHEMBL27088080

SCHEMBL27088080

Nc1ccc(-c2nn(C3CCCNC3)c3ncnc(N)c23)cc1F

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 20/20 0.70
▸ PIK3CA P42336 20/20 0.70
▸ PIK3CB P42338 20/20 0.70
▸ PIK3CG P48736 20/20 0.70
▸ PRKDC P78527 20/20 0.70
▸ ABL1 P00519 19/20 0.70
▸ EGFR P00533 19/20 0.70
▸ HCK P08631 19/20 0.70
▸ SRC P12931 19/20 0.70
▸ KDR P35968 19/20 0.70
▸ MTOR P42345 19/20 0.70
▸ EPHB4 P54760 18/20 0.70
▸ PI4KB Q9UBF8 12/20 0.70

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
SCHEMBL30320600 0.89 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23997147 0.89 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL5804210 0.88 SRC (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL24096758 0.86 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL29998830 0.86 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL28402694 0.86 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL28402696 0.86 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL17626657 0.85 BTK (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL17626658 0.85 BTK (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL22625427 0.84 EGFR (0.66) 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-4320127-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-02-14 — — EP disclosed
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