SCHEMBL21048480

SCHEMBL21048480

CCOc1cc(F)cc(-c2nn(C3CCCC3)c3ncnc(N)c23)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 15/20 0.70
▸ PIK3CD O00329 12/20 0.70
▸ PIK3CA P42336 9/20 0.70
▸ PIK3CB P42338 9/20 0.70
▸ PIK3CG P48736 9/20 0.70
▸ PRKDC P78527 9/20 0.70
▸ ABL1 P00519 8/20 0.70
▸ EGFR P00533 8/20 0.70
▸ HCK P08631 8/20 0.70
▸ KDR P35968 8/20 0.70
▸ MTOR P42345 8/20 0.70
▸ EPHB4 P54760 8/20 0.70
▸ PI4KB Q9UBF8 7/20 0.70
▸ BTK Q06187 4/20 0.65
▸ LCK P06239 3/20 0.58
▸ CSK P41240 2/20 0.58
▸ LYN P07948 1/20 0.56

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
SCHEMBL3610794 0.90 PIK3CD (0.75) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16655530 0.78 PIK3CD (1.00) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3616908 0.77 EGFR (1.00) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3612927 0.77 PIK3CD (1.00) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6430687 0.77 BTK (0.82) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16655325 0.77 PIK3CD (1.00) PIK3CDBTK
SCHEMBL15613529 0.77 BTK (0.61) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16886156 0.76 BTK (0.60) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24041322 0.76 BTK (0.78) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16886196 0.75 BTK (0.62) SRCPIK3CDPIK3CAPIK3CBPIK3CG

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-2551270-B1 PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2019-06-12 — — EP disclosed
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