SCHEMBL29944842

SCHEMBL29944842

CCc1nc(C(=O)O)cnc1NC1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 4/20 0.44
ALK Q9UM73 4/20 0.44
AXL P30530 6/20 0.41
FLT3 P36888 5/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
GAS6 Q14393 1/20 0.41
ETV6 P41212 4/20 0.41
MAPK1 P28482 4/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RET P07949 4/20 0.40
ROS1 P08922 4/20 0.40
CNR2 P34972 1/20 0.39
PDE4B Q07343 2/20 0.39

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
SCHEMBL30151513 0.89 EML4 (0.50) EML4ALKAXLFLT3TYRO3
SCHEMBL30300959 0.79 EML4 (0.47) EML4ALKAXLFLT3ETV6
SCHEMBL31498503 0.74 MAPK1 (0.49) EML4ALKMAPK1PDE4B
SCHEMBL30300927 0.72 EML4 (0.56) EML4ALKAXLFLT3ETV6
SCHEMBL30300980 0.72 LRRK2 (0.46) EML4ALKAXLFLT3ETV6
SCHEMBL30301017 0.72 EML4 (0.46) EML4ALKAXLFLT3TYRO3
SCHEMBL29582918 0.72 HCAR3 (0.49) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL16048397 0.72 HCAR3 (0.49) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL31498509 0.71 EML4 (0.49) EML4ALKAXLFLT3ETV6
SCHEMBL17075516 0.70 HCAR3 (0.48) MAPK1HDAC3HDAC1HDAC2HDAC6

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-115124590-B PROTAC compounds for targeted degradation of FLT3-ITD mutant proteins, and preparation method and application thereof 武汉大学中南医院 2024-10-22 CN disclosed
CN-115124590-A PROTAC compound for targeted degradation of FLT3-ITD mutant protein and preparation method and application thereof 武汉大学中南医院 2022-09-30 CN disclosed