SCHEMBL2015218

SCHEMBL2015218

O=CCc1cc(F)c2cccnc2c1-c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 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
PDE4A P27815 2/20 0.39
KDM4E B2RXH2 5/20 0.37
SYK P43405 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 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
SCHEMBL2012708 0.88 CCR1 (0.39) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL2015837 0.88 KDM4E (0.38) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL2015005 0.88 PIK3CD (0.44) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL2011277 0.86 CDC7 (0.37) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL2014788 0.82 TAAR1 (0.43) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL2015833 0.77 KDM4E (0.53) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL3913880 0.75 KCNA5 (0.40) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL2015215 0.74 L3MBTL1 (0.44) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL10157048 0.74 COMT (0.49) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL2017434 0.74 TAAR1 (0.40) CDC7ROCK2MAP4K4PIM1PRKACA

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