SCHEMBL2014788

SCHEMBL2014788

NCCc1cc(F)c2cccnc2c1-c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.43
SYK P43405 1/20 0.42
CDC7 O00311 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
KDM4E B2RXH2 5/20 0.39
PDE4A P27815 1/20 0.38
MPI P34949 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CD O00329 1/20 0.36
RPS6KB1 P23443 1/20 0.36
MPO P05164 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL2015779 0.89 PIK3CD (0.44) TAAR1SYKCDC7ROCK2MAP4K4
SCHEMBL2013016 0.89 TAAR1 (0.41) TAAR1SYKCDC7ROCK2MAP4K4
SCHEMBL2017434 0.88 TAAR1 (0.40) TAAR1SYKCDC7ROCK2MAP4K4
SCHEMBL2013332 0.86 MAP4K4 (0.42) TAAR1SYKCDC7ROCK2MAP4K4
SCHEMBL2016433 0.84 TAAR1 (0.43) TAAR1SYKKDM4EPIK3CDMPO
SCHEMBL2015218 0.82 CDC7 (0.40) SYKCDC7ROCK2MAP4K4PIM1
SCHEMBL2011259 0.82 TAAR1 (0.43) TAAR1SYKCDC7ROCK2MAP4K4
SCHEMBL2014851 0.78 PIK3CD (0.46) SYKCDC7ROCK2MAP4K4PIM1
SCHEMBL2014786 0.76 PIK3CD (0.46) SYKCDC7ROCK2MAP4K4PIM1
SCHEMBL2014978 0.75 KDM4E (0.46) SYKCDC7ROCK2MAP4K4PIM1

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