SCHEMBL26071485

SCHEMBL26071485

Nc1ncccc1-c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.59
MKNK2 Q9HBH9 3/20 0.59
MAP4K4 O95819 1/20 0.55
HTT P42858 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CDK1 P06493 2/20 0.47
CDK2 P24941 2/20 0.47
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47
JAK2 O60674 1/20 0.47
LCK P06239 1/20 0.47
CSF1R P07333 1/20 0.47
LYN P07948 1/20 0.47
FGFR1 P11362 1/20 0.47
SRC P12931 1/20 0.47
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
MARK3 P27448 1/20 0.47

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
SCHEMBL623411 0.82 MAP4K4 (0.61) MKNK1MKNK2MAP4K4NPC1RAB9A
SCHEMBL1148699 0.81 MAP4K4 (0.66) MKNK1MKNK2MAP4K4HTTCDK1
SCHEMBL2253189 0.80 MKNK1 (0.59) MKNK1MKNK2MAP4K4CDK1CDK2
SCHEMBL4582572 0.80 MKNK1 (0.59) MKNK1MKNK2MAP4K4NPC1RAB9A
SCHEMBL624668 0.80 MKNK1 (0.64) MKNK1MKNK2MAP4K4NOS3NOS1
SCHEMBL4582566 0.80 MKNK1 (0.59) MKNK1MKNK2MAP4K4CDK1CDK2
SCHEMBL30128566 0.80 MKNK1 (0.59) MKNK1MKNK2MAP4K4NOS3NOS1
SCHEMBL11127668 0.79 MAP4K4 (0.58) MKNK1MKNK2MAP4K4NPC1RAB9A
SCHEMBL29442167 0.79 MAP4K4 (0.58) MKNK1MKNK2MAP4K4NPC1RAB9A
Hydrochloric Acid SCHEMBL2488216 0.78 MKNK1 (0.57) MKNK1MKNK2MAP4K4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114195709-B Synthesis method and application of star-shaped undoped small-molecule hole transport material 华南理工大学 2023-07-21 CN claimed
CN-114195709-B Synthesis method and application of star-shaped undoped small-molecule hole transport material 华南理工大学 2023-07-21 CN disclosed
CN-114195709-A Synthetic method and application of star-shaped undoped micromolecular hole transport material 华南理工大学 2022-03-18 CN disclosed