SCHEMBL9704929

SCHEMBL9704929

CCCCNc1ncc2nc(CCCC)[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
TYRO3 Q06418 9/20 0.38
MERTK Q12866 9/20 0.38
AXL P30530 6/20 0.38
BCHE P06276 1/20 0.38
TRPC3 Q13507 1/20 0.38
TRPC4 Q9UBN4 1/20 0.38
TRPC5 Q9UL62 1/20 0.38
FLT3 P36888 7/20 0.37
GAS6 Q14393 7/20 0.37
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
SCHEMBL9705991 0.83 PARP1 (0.47) PARP1
SCHEMBL9704936 0.79 POLA1 (0.41) TYRO3MERTKAXLBCHETRPC3
SCHEMBL9669702 0.78 PARP1 (0.42) PARP1TYRO3
SCHEMBL9704728 0.77 PDE4A (0.43) TYRO3MERTKAXLFLT3GAS6
SCHEMBL9705258 0.75 PARP1 (0.40) PARP1
SCHEMBL9706003 0.75 PARP1 (0.40) PARP1
SCHEMBL7851162 0.73 PARP1 (0.43) PARP1
SCHEMBL17099324 0.71 XDH (0.43) TYRO3MERTKAXLFLT3GAS6
SCHEMBL29475640 0.70 TYRO3 (0.47) TYRO3MERTKAXLBCHETRPC3
SCHEMBL10779046 0.70 XDH (0.44) TYRO3MERTKAXLFLT3GAS6

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