SCHEMBL28055911

SCHEMBL28055911

NCCCCCc1ncnc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
HRH1 P35367 5/20 0.45
MAOA P21397 1/20 0.44
TLR8 Q9NR97 4/20 0.43
ACHE P22303 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
S1PR2 O95136 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ADORA2A P29274 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL8079742 0.98 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBHRH1
SCHEMBL8654328 0.81 ACHE (0.43) PI4KAPI4K2BPI4K2API4KBACHE
SCHEMBL29057185 0.79 SMN1; SMN2 (0.53) PI4KAPI4K2BPI4K2API4KBACHE
SCHEMBL8547170 0.79 HTT (0.55) PI4KAPI4K2BPI4K2API4KBACHE
SCHEMBL11728330 0.78 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBACHE
SCHEMBL28731954 0.75 RAB9A (0.62) PI4KAPI4K2BPI4K2API4KBACHE
SCHEMBL11953072 0.75 ALDH1A1 (0.48) PI4KAPI4K2BPI4K2API4KBACHE
SCHEMBL10752255 0.75 LOXL2 (0.62) HRH1TLR8MAPTLOXL2
SCHEMBL14157416 0.75 LOXL2 (0.62) HRH1TLR8MAPTLOXL2
SCHEMBL10757258 0.75 LOXL2 (0.62) HRH1TLR8MAPTLOXL2

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-104130200-B A kind of 2-substituted-phenyl-4-aryl amine quinazoline derivant and its preparation method and application SUN YAT-SEN UNIVERSITY (CN) 2016-04-20 CN claimed