SCHEMBL13248700

SCHEMBL13248700

COc1cccc(C(=O)NCC(O)[C@@H](CO)OCn2cnc3c(N)ncnc32)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.43
▸ PI4K2B Q8TCG2 1/20 0.43
▸ PI4K2A Q9BTU6 1/20 0.43
▸ PI4KB Q9UBF8 1/20 0.43
▸ EGFR P00533 2/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ CHKA P35790 1/20 0.41
▸ NSD3 Q9BZ95 1/20 0.41
▸ SRC P12931 2/20 0.41
▸ AHCY P23526 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ EP300 Q09472 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL14472890 1.00 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL14473043 0.87 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL10284145 0.75 AHCY (0.60) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL14472999 0.75 AHCY (0.60) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL13248702 0.74 ATM (0.43) AHCYADORA2A
SCHEMBL14139510 0.72 AHCY (0.56) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL14379019 0.72 ADORA2A (0.60) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL11347140 0.69 POLB (0.54) CHKANSD3
SCHEMBL18984365 0.69 PIK3CD (0.46) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL14030163 0.68 AHCY (0.40) PI4KAPI4K2BPI4K2API4KBEGFR

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
US-7767657-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2010-08-03 — — US disclosed
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