SCHEMBL30337333

SCHEMBL30337333

Nc1ccnc(-c2ccc(-c3cc(N)ccn3)cc2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 5/20 0.79
IRAK4 Q9NWZ3 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
MAP4K4 O95819 2/20 0.40
AURKA O14965 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PRKACA P17612 1/20 0.39
ADORA2A P29274 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KCNA1 Q09470 1/20 0.38

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
SCHEMBL27675974 0.95 ASIC3 (0.73) ASIC3IRAK4LOXL2MAPKAPK2MEN1
SCHEMBL21055972 0.89 ASIC3 (0.66) ASIC3IRAK4MAP4K4MAPKAPK2MEN1
SCHEMBL30437053 0.89 ASIC3 (0.66) ASIC3IRAK4MAP4K4MAPKAPK2MEN1
SCHEMBL12436465 0.89 ASIC3 (0.92) ASIC3AURKAHSP90AA1PRKACAADORA2A
SCHEMBL28593789 0.89 ASIC3 (0.66) ASIC3IRAK4ADORA2AMEN1ALDH1A1
SCHEMBL12692399 0.89 ASIC3 (0.66) ASIC3IRAK4MEN1ALDH1A1MAPT
SCHEMBL18745790 0.89 ASIC3 (0.70) ASIC3MAP4K4AURKAMAPKAPK2MEN1
SCHEMBL3788626 0.89 ASIC3 (1.00) ASIC3AURKAHSP90AA1PRKACAADORA2A
SCHEMBL314105 0.87 ASIC3 (0.67) ASIC3IRAK4HSP90AA1MEN1ALDH1A1
SCHEMBL21312140 0.84 ASIC3 (0.59) ASIC3MEN1ALDH1A1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974067-A High-thermal-conductivity graphite film of pyridine ring modified polyimide and preparation method thereof 富优特(山东)新材料科技有限公司 2023-04-18 CN claimed
CN-115974067-A High-thermal-conductivity graphite film of pyridine ring modified polyimide and preparation method thereof 富优特(山东)新材料科技有限公司 2023-04-18 CN disclosed