SCHEMBL30823316

SCHEMBL30823316

Cc1ncc2c(OC3CCC(N)CC3)cc(N3CCOCC3)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.44
MERTK Q12866 3/20 0.39
TBK1 Q9UHD2 9/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
PRKDC P78527 2/20 0.34
INSR P06213 1/20 0.34
ALK Q9UM73 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34

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
SCHEMBL21187299 1.00 SYK (0.44) SYKMERTKTBK1HTR1AHTR1D
SCHEMBL21177898 1.00 SYK (0.44) SYKMERTKTBK1HTR1AHTR1D
SCHEMBL30823305 0.83 SYK (0.43) SYKTBK1IRAK4PRKDC
SCHEMBL21177847 0.83 SYK (0.43) SYKTBK1IRAK4PRKDC
SCHEMBL21187258 0.83 SYK (0.43) SYKTBK1IRAK4PRKDC
SCHEMBL30823279 0.82 PIK3C3 (0.39) SYKTBK1EHMT2EHMT1
SCHEMBL21187333 0.82 PIK3C3 (0.39) SYKTBK1EHMT2EHMT1
SCHEMBL28471538 0.82 PIK3C3 (0.39) SYKTBK1EHMT2EHMT1
SCHEMBL21187336 0.81 DCLK1 (0.39) SYKHTR1AHTR1DHTR1BIRAK4
SCHEMBL21177900 0.81 DCLK1 (0.39) SYKHTR1AHTR1DHTR1BIRAK4

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
CN-111757876-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2024-03-22 CN disclosed