SCHEMBL21187296

SCHEMBL21187296

Cc1ncnc2cc(N3CCOCC3)cc(O[C@H]3CC[C@@H](N)CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.47
IRAK4 Q9NWZ3 2/20 0.39
TBK1 Q9UHD2 7/20 0.38
PRKDC P78527 7/20 0.38
PDE10A Q9Y233 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HIF1A Q16665 1/20 0.36
CLK4 Q9HAZ1 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
SCHEMBL21178138 1.00 SYK (0.47) SYKIRAK4TBK1PRKDCPDE10A
SCHEMBL30817825 1.00 SYK (0.47) SYKIRAK4TBK1PRKDCPDE10A
SCHEMBL21177871 0.88 SYK (0.47) SYKIRAK4TBK1PRKDCPDE10A
SCHEMBL21187399 0.88 SYK (0.47) SYKIRAK4TBK1PRKDCPDE10A
SCHEMBL30823276 0.88 SYK (0.47) SYKIRAK4TBK1PRKDCPDE10A
SCHEMBL21187340 0.88 IRAK4 (0.38) SYKIRAK4TBK1PRKDCPDE10A
SCHEMBL21187330 0.85 TBK1 (0.43) SYKTBK1
SCHEMBL30823312 0.85 TBK1 (0.43) SYKTBK1
SCHEMBL21177888 0.85 TBK1 (0.43) SYKTBK1
SCHEMBL21177847 0.82 SYK (0.43) SYKIRAK4TBK1PRKDCPDE10A

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-2019143678-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 WO disclosed