SCHEMBL30513345

SCHEMBL30513345

Nc1ccc(-c2nn(C3COC3)c3ncnc(N)c23)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 12/20 0.55
▸ ABL1 P00519 9/20 0.55
▸ EGFR P00533 9/20 0.55
▸ HCK P08631 9/20 0.55
▸ SRC P12931 9/20 0.55
▸ KDR P35968 9/20 0.55
▸ PIK3CA P42336 9/20 0.55
▸ PIK3CB P42338 9/20 0.55
▸ MTOR P42345 9/20 0.55
▸ PIK3CG P48736 9/20 0.55
▸ PRKDC P78527 9/20 0.55
▸ EPHB4 P54760 8/20 0.55
▸ PI4KB Q9UBF8 7/20 0.55
▸ BTK Q06187 11/20 0.50

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
SCHEMBL23997323 0.81 PIK3CD (0.58) PIK3CDABL1EGFRHCKSRC
SCHEMBL29780871 0.80 PIK3CD (0.66) PIK3CDABL1EGFRHCKSRC
SCHEMBL24096492 0.80 PIK3CD (0.66) PIK3CDABL1EGFRHCKSRC
SCHEMBL29780867 0.80 PIK3CD (0.38) PIK3CDABL1EGFRHCKSRC
SCHEMBL30569291 0.79 SRC (0.60) ABL1EGFRSRCKDRBTK
SCHEMBL21436351 0.77 PIK3CB (0.53) PIK3CDABL1EGFRHCKSRC
SCHEMBL31165915 0.77 PIK3CB (0.53) PIK3CDABL1EGFRHCKSRC
SCHEMBL24651164 0.77 PIK3CD (0.48) PIK3CDABL1EGFRHCKSRC
SCHEMBL30120847 0.77 PIK3CD (0.48) PIK3CDABL1EGFRHCKSRC
SCHEMBL24096894 0.74 PIK3CD (0.55) PIK3CDABL1EGFRHCKSRC

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
CN-116583287-A Pyridazinone heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-08-11 — — CN disclosed
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