SCHEMBL29947362

SCHEMBL29947362

O=Cc1csc2cncnc12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.39
IRAK4 Q9NWZ3 8/20 0.36
AURKA O14965 1/20 0.31
MAP3K7 O43318 1/20 0.31
FLT3 P36888 1/20 0.31
SYK P43405 1/20 0.31
ERN1 O75460 1/20 0.31

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
SCHEMBL359834 1.00 CYP2A6 (0.39) CYP2A6IRAK4AURKAMAP3K7FLT3
SCHEMBL10254559 0.75 IRAK4 (0.40) IRAK4AURKAMAP3K7FLT3SYK
SCHEMBL30679394 0.72 IRAK4 (0.37) IRAK4AURKAMAP3K7FLT3SYK
SCHEMBL21371622 0.72 IRAK4 (0.37) IRAK4AURKAMAP3K7FLT3SYK
SCHEMBL657295 0.72 IRAK4 (0.37) IRAK4AURKAMAP3K7FLT3SYK
SCHEMBL359942 0.71 SYK (0.39) CYP2A6SYK
SCHEMBL29936180 0.71 IRAK4 (0.39) IRAK4AURKAMAP3K7FLT3SYK
SCHEMBL360516 0.71 IRAK4 (0.39) IRAK4AURKAMAP3K7FLT3SYK
SCHEMBL4302108 0.71 IRAK4 (0.39) IRAK4AURKAMAP3K7FLT3SYK
SCHEMBL24375572 0.70 IRAK4 (0.39) IRAK4AURKAMAP3K7FLT3SYK

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
CN-115135659-B Morpholine derivative, and preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-03-12 CN disclosed
CN-115135659-A Morpholine derivatives and preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-09-30 CN disclosed