SCHEMBL12632014

SCHEMBL12632014

Nc1cc(C=O)c(-c2cccc(F)c2)c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.40
HSP90AA1 P07900 3/20 0.40
HSP90AB1 P08238 2/20 0.40
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
IDO1 P14902 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2014752 0.85 KMT2A (0.40) MAP4K4HSP90AA1CDC7ROCK2PIM1
SCHEMBL2013344 0.82 MAP4K4 (0.41) MAP4K4HSP90AA1CDC7ROCK2PIM1
SCHEMBL12632908 0.76 PIK3CD (0.44) MAP4K4HSP90AA1HSP90AB1CDC7ROCK2
SCHEMBL2012708 0.72 CCR1 (0.39) MAP4K4CDC7ROCK2PIM1PRKACA
SCHEMBL12630714 0.72 PIK3CD (0.40) MAP4K4HSP90AA1HSP90AB1CDC7ROCK2
SCHEMBL2015218 0.72 CDC7 (0.40) MAP4K4CDC7ROCK2PIM1PRKACA
SCHEMBL2011277 0.71 CDC7 (0.37) MAP4K4HSP90AA1CDC7ROCK2PIM1
SCHEMBL2015005 0.70 PIK3CD (0.44) MAP4K4HSP90AA1CDC7ROCK2PIM1
SCHEMBL2015837 0.70 KDM4E (0.38) MAP4K4CDC7ROCK2PIM1PRKACA
SCHEMBL2013014 0.69 PIK3CD (0.45) MAP4K4CDC7ROCK2PIM1PRKACA

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
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed