SCHEMBL28805803

SCHEMBL28805803

CCOc1cc(-c2nn(CCO)c3ncnc(N)c23)ccc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 19/20 1.00
▸ PIK3CD O00329 18/20 1.00
▸ EGFR P00533 18/20 1.00
▸ HCK P08631 18/20 1.00
▸ SRC P12931 18/20 1.00
▸ PIK3CA P42336 18/20 1.00
▸ PIK3CB P42338 18/20 1.00
▸ MTOR P42345 18/20 1.00
▸ PIK3CG P48736 18/20 1.00
▸ EPHB4 P54760 18/20 1.00
▸ PRKDC P78527 18/20 1.00
▸ KDR P35968 17/20 1.00
▸ PI4KB Q9UBF8 16/20 1.00
▸ FGFR1 P11362 1/20 0.57
▸ FGFR2 P21802 1/20 0.57
▸ FGFR3 P22607 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
SCHEMBL30387348 1.00 ABL1 (1.00) ABL1PIK3CDEGFRHCKSRC
SCHEMBL23917199 0.83 PIK3CD (0.75) ABL1PIK3CDEGFRHCKSRC
SCHEMBL30387301 0.82 SRC (1.00) ABL1PIK3CDEGFRHCKSRC
SCHEMBL18258369 0.80 MTOR (0.72) ABL1PIK3CDEGFRHCKSRC
SCHEMBL234181 0.79 SRC (0.80) ABL1PIK3CDEGFRHCKSRC
SCHEMBL29780889 0.78 SRC (0.64) ABL1PIK3CDEGFRHCKSRC
SCHEMBL21467054 0.78 ABL1 (0.64) ABL1PIK3CDEGFRHCKSRC
SCHEMBL29999077 0.77 PIK3CD (0.62) ABL1PIK3CDEGFRHCKSRC
SCHEMBL24096755 0.77 PIK3CD (0.62) ABL1PIK3CDEGFRHCKSRC
SCHEMBL16702036 0.77 EGFR (0.64) ABL1PIK3CDEGFRHCKSRC

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-101506211-B Kinase antagonists UNIV CALIFORNIA 2013-05-22 — — CN disclosed
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