SCHEMBL29029993

SCHEMBL29029993

c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccc(-c5ccccn5)cc43)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.43
METAP2 P50579 2/20 0.41
NPY5R Q15761 1/20 0.41
MCL1 Q07820 5/20 0.40
DHODH Q02127 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
MAPT P10636 1/20 0.38
METAP1 P53582 2/20 0.37
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 1/20 0.36
COMT P21964 1/20 0.36
MAPK14 Q16539 1/20 0.36
CNR2 P34972 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
SCHEMBL29029989 0.91 IRAK4 (0.39) IRAK4METAP2NPY5RMCL1DHODH
SCHEMBL30410874 0.91 IRAK4 (0.39) IRAK4METAP2NPY5RMCL1DHODH
SCHEMBL29029992 0.88 IRAK4 (0.39) IRAK4METAP2NPY5RMCL1DHODH
SCHEMBL29029990 0.86 IRAK4 (0.38) IRAK4METAP2NPY5RMCL1DHODH
SCHEMBL20427756 0.86 METAP1 (0.44) NPY5RMCL1DHODHMETAP1COMT
SCHEMBL19295069 0.83 KDM4E (0.53) IRAK4METAP2NPY5RMCL1DHODH
SCHEMBL15874450 0.83 IRAK4 (0.40) IRAK4METAP2MCL1DHODHMAPT
SCHEMBL31754139 0.82 IRAK4 (0.40) IRAK4METAP2MCL1DHODHMAPT
SCHEMBL20987591 0.80 IRAK4 (0.42) IRAK4METAP2NPY5RDHODHCOMT
SCHEMBL25681735 0.80 METAP2 (0.39) IRAK4METAP2NPY5RMCL1DHODH

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
CN-115991722-A Yellow-green phosphorescence bivalent platinum complex, preparation method and application thereof, and organic photoelectric device 中国石油化工股份有限公司 2023-04-21 CN disclosed