SCHEMBL2013295

SCHEMBL2013295

Fc1cccc(-c2c(CCNc3ncnc4[nH]cnc34)ccc3cccnc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.53
MAP4K4 O95819 7/20 0.40
SYK P43405 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRKACA P17612 2/20 0.37
GSK3B P49841 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
PDGFRB P09619 1/20 0.37

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
SCHEMBL2052398 0.93 PIK3CD (0.44) PIK3CDMAP4K4SYKLMNAMAPK1
SCHEMBL2050742 0.89 PIK3CD (0.42) PIK3CDMAP4K4SYKLMNAMAPK1
SCHEMBL2015901 0.88 MAPK1 (0.48) PIK3CDMAP4K4SYKLMNAMAPK1
SCHEMBL2014851 0.86 PIK3CD (0.46) PIK3CDMAP4K4SYKLMNAMAPK1
SCHEMBL2014148 0.85 PIK3CD (0.47) PIK3CDMAP4K4SYKLMNAMAPK1
SCHEMBL2016210 0.85 PIK3CD (0.55) PIK3CDMAP4K4SYKLMNAMAPK1
SCHEMBL2017406 0.83 LMNA (0.39) PIK3CDLMNAMAPK1HTTSMN1; SMN2
SCHEMBL2016846 0.83 PIK3CD (0.45) PIK3CDMAP4K4SYKLMNAMAPK1
SCHEMBL2016719 0.79 PIK3CD (0.47) PIK3CDMAP4K4SYKLMNAMAPK1
Trifluoroacetic Acid SCHEMBL2052106 0.79 PIK3CD (0.42) PIK3CDMAP4K4SYKLMNAMAPK1

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