SCHEMBL2052398

SCHEMBL2052398

Fc1cc(F)cc(-c2c(CCNc3ncnc4[nH]cnc34)ccc3cccnc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.44
HTT P42858 4/20 0.37
LMNA P02545 4/20 0.37
MAPK1 P28482 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TAAR1 Q96RJ0 1/20 0.34
MAP4K4 O95819 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SYK P43405 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
DYRK1A Q13627 2/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
PRKD3 O94806 1/20 0.32
PAK4 O96013 1/20 0.32
ABL1 P00519 1/20 0.32
LCK P06239 1/20 0.32
CSF1R P07333 1/20 0.32

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
SCHEMBL2013295 0.93 PIK3CD (0.53) PIK3CDHTTLMNAMAPK1SMN1; SMN2
SCHEMBL2050742 0.91 PIK3CD (0.42) PIK3CDHTTLMNAMAPK1SMN1; SMN2
SCHEMBL2017406 0.85 LMNA (0.39) PIK3CDHTTLMNAMAPK1SMN1; SMN2
SCHEMBL2718018 0.81 PIK3CD (0.41) PIK3CD
SCHEMBL2015901 0.80 MAPK1 (0.48) PIK3CDHTTLMNAMAPK1SMN1; SMN2
SCHEMBL2014851 0.79 PIK3CD (0.46) PIK3CDHTTLMNAMAPK1SMN1; SMN2
SCHEMBL2053387 0.79 MAPK1 (0.44) PIK3CDHTTLMNAMAPK1SMN1; SMN2
SCHEMBL2014148 0.77 PIK3CD (0.47) PIK3CDHTTLMNAMAPK1SMN1; SMN2
SCHEMBL2016210 0.77 PIK3CD (0.55) PIK3CDHTTLMNAMAPK1SMN1; SMN2
SCHEMBL2017399 0.77 PIK3CD (0.66) PIK3CDMAP4K4DYRK1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635565-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS Amgen Inc. (US) 2013-09-11 EP claimed
WO-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 WO claimed
EP-2635565-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS Amgen Inc. (US) 2013-09-11 EP disclosed
WO-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 WO disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed