SCHEMBL29313602

SCHEMBL29313602

CCCCNc1nc(NCCC)ncc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SIRT5 Q9NXA8 1/20 0.45
TYRO3 Q06418 9/20 0.44
MERTK Q12866 9/20 0.44
GAS6 Q14393 9/20 0.44
FLT3 P36888 8/20 0.44
AXL P30530 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC29A1 Q99808 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSL P07711 1/20 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
SCHEMBL4768640 0.81 POLB (0.49) POLBSIRT5SMN1; SMN2KDM4EALDH1A1
SCHEMBL2023032 0.81 MKNK1 (0.58) TYRO3MERTKFLT3
SCHEMBL29313687 0.80 POLB (0.41) POLBSIRT5TYRO3MERTKGAS6
SCHEMBL19476565 0.80 MERTK (0.62) TYRO3MERTKGAS6FLT3AXL
SCHEMBL19476573 0.80 MERTK (0.56) POLBTYRO3MERTKGAS6FLT3
SCHEMBL1936209 0.79 KDR (0.56) MERTKFLT3AXL
SCHEMBL4769260 0.76 CA2 (0.48)
SCHEMBL4763724 0.76 CA2 (0.47)
SCHEMBL2025331 0.75 SMN1; SMN2 (0.45) POLBSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL13737291 0.75 L3MBTL1 (0.40) POLBTYRO3MERTKGAS6FLT3

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
EP-3782986-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-07-10 EP disclosed