SCHEMBL2010638

SCHEMBL2010638

N#Cc1cc(CCO)c(-c2cccc(F)c2)c2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.40
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 2/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CDC7 O00311 1/20 0.37
ROCK2 O75116 1/20 0.37
PIM1 P11309 1/20 0.37
PRKACA P17612 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
PIK3CD O00329 1/20 0.35
RPS6KB1 P23443 1/20 0.35

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
SCHEMBL2013332 0.89 MAP4K4 (0.42) MAP4K4ADORA1KDM4EPDE4APDE4B
SCHEMBL2018305 0.82 SCN9A (0.36) MAP4K4PDE4APDE4BPDE4CPDE4D
SCHEMBL2016600 0.78 MAP4K4 (0.37) MAP4K4KDM4EPDE4APDE4BPDE4C
SCHEMBL2010635 0.78 PIK3CD (0.44) MAP4K4PDE4APDE4BPDE4CPDE4D
SCHEMBL2013344 0.77 MAP4K4 (0.41) MAP4K4KDM4EPDE4APDE4BPDE4C
SCHEMBL2016846 0.77 PIK3CD (0.45) MAP4K4CDC7ROCK2PIM1PRKACA
SCHEMBL2012265 0.76 PIK3CD (0.42) MAP4K4ADORA1KDM4EPDE4APDE4B
SCHEMBL2013331 0.76 PIK3CD (0.44) MAP4K4ADORA1CDC7ROCK2PIM1
SCHEMBL2014978 0.75 KDM4E (0.46) MAP4K4KDM4EPDE4ACDC7ROCK2
SCHEMBL2014788 0.74 TAAR1 (0.43) MAP4K4KDM4EPDE4ACDC7ROCK2

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