SCHEMBL13501435

SCHEMBL13501435

O=C(Nc1ccc(N2CCNCC2)cc1)c1ccn2ncc(-c3cccc(CF)c3)c2n1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.79
CYBB P04839 2/20 0.59
MAPKAPK2 P49137 7/20 0.49
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 1/20 0.42
KDR P35968 2/20 0.41
LCK P06239 1/20 0.41
HCK P08631 1/20 0.41
SRC P12931 1/20 0.41
MT-CO2 P00403 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
ACVR1 Q04771 2/20 0.39
TGFBR1 P36897 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
FLT3 P36888 1/20 0.39
PRKCI P41743 1/20 0.39
RET P07949 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
SCHEMBL13501278 0.89 SLC2A1 (0.82) SLC2A1CYBBMAPKAPK2PIM1PIM2
SCHEMBL13501157 0.88 SLC2A1 (1.00) SLC2A1CYBBMAPKAPK2PIM1PIM2
SCHEMBL13501301 0.87 SLC2A1 (0.82) SLC2A1CYBBMAPKAPK2PIM1PIM2
SCHEMBL13501323 0.87 SLC2A1 (0.82) SLC2A1CYBBMAPKAPK2PIM1PIM2
SCHEMBL13501328 0.87 SLC2A1 (0.74) SLC2A1CYBBMAPKAPK2PIM1PIM2
SCHEMBL13501294 0.87 SLC2A1 (0.82) SLC2A1CYBBMAPKAPK2PIM1PIM2
SCHEMBL13501360 0.87 SLC2A1 (0.79) SLC2A1CYBBMAPKAPK2PIM1PIM2
SCHEMBL13501331 0.86 SLC2A1 (0.72) SLC2A1CYBBMAPKAPK2PIM1PIM2
SCHEMBL13501291 0.85 SLC2A1 (0.79) SLC2A1CYBBMAPKAPK2PIM1PIM2
SCHEMBL13501112 0.85 SLC2A1 (0.79) SLC2A1CYBBMAPKAPK2PIM1PIM2

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-7662826-B2 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same SHIONOGI & CO., LTD. (JP) 2010-02-16 US disclosed