SCHEMBL5067787

SCHEMBL5067787

CCCCc1nc(N)c2c(-c3ccccc3C)n[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA4 P54764 1/20 0.41
TLR8 Q9NR97 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKDC P78527 1/20 0.36
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
DPP4 P27487 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.35
BTK Q06187 1/20 0.35
ADORA2A P29274 1/20 0.35
HTR7 P34969 1/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
DHFR P00374 1/20 0.34
PDE3B Q13370 2/20 0.33

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
SCHEMBL2361495 0.80 SMN1; SMN2 (0.40) TLR8PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5066107 0.79 TLR8 (0.40) TLR8PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21048476 0.73 PIK3CG (0.59) EPHA4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL8842104 0.71 DCUN1D1 (0.53) TLR8DCUN1D1TDP1TSHRKDM4E
SCHEMBL13329283 0.70 BTK (0.44) EPHA4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13329241 0.68 DPP4 (0.41) EPHA4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13329735 0.66 DPP4 (0.39) EPHA4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13329315 0.66 EPHA4 (0.62) EPHA4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL11496531 0.65 GAA (0.38) TLR8DCUN1D1HTR7TSHRKDM4E
SCHEMBL13360836 0.65 HEXA (0.40) TLR8PIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004654-A2 KINASE ANTAGONISTS The Regents of the University of California (US) 2008-12-24 EP disclosed
WO-2007114926-A2 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-11 WO disclosed