SCHEMBL9704936

SCHEMBL9704936

CCCCNc1ncc2[nH]c(CCCC)nc2n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.41
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
BCHE P06276 1/20 0.37
TRPC3 Q13507 1/20 0.37
TRPC4 Q9UBN4 1/20 0.37
TRPC5 Q9UL62 1/20 0.37
FLT3 P36888 5/20 0.36
TYRO3 Q06418 5/20 0.36
MERTK Q12866 5/20 0.36
GAS6 Q14393 5/20 0.36
AXL P30530 2/20 0.36
XDH P47989 1/20 0.36
HRH4 Q9H3N8 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
SCHEMBL9705994 0.83 PDE4A (0.46) POLA1
SCHEMBL9704929 0.79 PARP1 (0.40) BCHETRPC3TRPC4TRPC5FLT3
SCHEMBL9704732 0.77 PAK1 (0.53) POLA1FLT3TYRO3MERTKGAS6
SCHEMBL9705260 0.74 NOS1 (0.45) NOS3NOS1NOS2PI4KAPI4K2B
SCHEMBL9706008 0.74 NOS3 (0.40) NOS3NOS1NOS2PI4KAPI4K2B
SCHEMBL7851163 0.72 PI4KA (0.49) NOS3NOS1NOS2PI4KAPI4K2B
SCHEMBL29475640 0.71 TYRO3 (0.47) BCHETRPC3TRPC4TRPC5FLT3
SCHEMBL9980475 0.71 POLA1 (0.57) POLA1FLT3TYRO3MERTKGAS6
SCHEMBL10779057 0.70 POLA1 (0.56) POLA1FLT3TYRO3MERTKGAS6
SCHEMBL27573343 0.70 PI4KA (0.45) NOS3NOS1NOS2PI4KAPI4K2B

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-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed