SCHEMBL29029989

SCHEMBL29029989

Clc1cc(-c2ccccn2)cc(-n2c3ccccc3c3ccc(-c4ccccn4)cc32)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.39
MCL1 Q07820 5/20 0.39
METAP2 P50579 2/20 0.38
MAPK14 Q16539 1/20 0.38
NPY5R Q15761 1/20 0.38
METAP1 P53582 1/20 0.37
CAPN1 P07384 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
DHODH Q02127 1/20 0.36
RORC P51449 1/20 0.36
TGFBR1 P36897 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
MAPT P10636 1/20 0.34
MAT2A P31153 2/20 0.34

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
SCHEMBL30410874 1.00 IRAK4 (0.39) IRAK4MCL1METAP2MAPK14NPY5R
SCHEMBL29029993 0.91 IRAK4 (0.43) IRAK4MCL1METAP2MAPK14NPY5R
SCHEMBL28594430 0.88 MAT2A (0.38) IRAK4MCL1MAPK14NPY5RMETAP1
SCHEMBL29029992 0.82 IRAK4 (0.39) IRAK4MCL1METAP2NPY5RDHODH
SCHEMBL29029990 0.81 IRAK4 (0.38) IRAK4MCL1METAP2NPY5RCAPN1
SCHEMBL20427756 0.80 METAP1 (0.44) MCL1NPY5RMETAP1CCR1CCR5
SCHEMBL19295069 0.78 KDM4E (0.53) IRAK4MCL1METAP2MAPK14NPY5R
SCHEMBL15874450 0.78 IRAK4 (0.40) IRAK4MCL1METAP2MAPK14DHODH
SCHEMBL31754139 0.77 IRAK4 (0.40) IRAK4MCL1METAP2MAPK14DHODH
SCHEMBL20987591 0.75 IRAK4 (0.42) IRAK4METAP2MAPK14NPY5RCAPN1

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