SCHEMBL2013612

SCHEMBL2013612

Fc1cccc(-c2c(CCNc3ncnc4[nH]cnc34)nc3ccccn23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.41
MAP4K4 O95819 5/20 0.39
PLAU P00749 1/20 0.37
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
FLT1 P17948 1/20 0.36
LTK P29376 1/20 0.36
GRK5 P34947 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 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
SCHEMBL2714343 0.79 PIK3CD (0.53) PIK3CDMAP4K4
SCHEMBL2054056 0.79 PIK3CD (0.54) PIK3CDMAP4K4
SCHEMBL17331673 0.78 MAP4K4 (0.42) PIK3CDMAP4K4PLAUAURKADAPK3
SCHEMBL17397197 0.77 PIK3CD (0.44) PIK3CDMAP4K4AURKADAPK3JAK2
SCHEMBL2016100 0.76 MAP4K4 (0.40) PIK3CDMAP4K4AURKADAPK3JAK2
SCHEMBL2019256 0.76 MAP4K4 (0.42) PIK3CDMAP4K4AURKADAPK3JAK2
SCHEMBL4431751 0.75 MAP4K4 (0.41) PIK3CDMAP4K4AURKADAPK3JAK2
SCHEMBL14842804 0.74 MAP4K4 (0.37) PIK3CDMAP4K4AURKADAPK3JAK2
SCHEMBL2717143 0.74 MAP4K4 (0.41) PIK3CDMAP4K4AURKADAPK3JAK2
SCHEMBL20119671 0.74 AURKA (0.52) MAP4K4AURKADAPK3JAK2PRKD3

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-2011075643-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed