SCHEMBL28823329

SCHEMBL28823329

[O]c1ccnc2ccc(Br)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.53
CHEK1 O14757 1/20 0.49
PIM1 P11309 1/20 0.49
AKT1 P31749 1/20 0.49
FLT3 P36888 1/20 0.49
PIM3 Q86V86 1/20 0.49
NCF1 P14598 1/20 0.47
CCNC P24863 2/20 0.44
CDK8 P49336 2/20 0.44
HTT P42858 5/20 0.44
ALDH1A1 P00352 2/20 0.44
GAK O14976 1/20 0.42
EPHB6 O15197 1/20 0.42
RIPK2 O43353 1/20 0.42
STK16 O75716 1/20 0.42
ABL1 P00519 1/20 0.42
ACVR1 Q04771 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
COQ8A Q8NI60 1/20 0.42
NLK Q9UBE8 1/20 0.42

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
SCHEMBL9034955 0.81 SLC22A12 (0.50) SLC22A12CHEK1PIM1AKT1FLT3
SCHEMBL14690611 0.79 SLC22A12 (0.51) SLC22A12CHEK1PIM1AKT1FLT3
SCHEMBL29896761 0.79 SLC22A12 (0.51) SLC22A12CHEK1PIM1AKT1FLT3
SCHEMBL16247955 0.76 SLC22A12 (0.49) SLC22A12CHEK1PIM1AKT1FLT3
SCHEMBL360254 0.76 SLC22A12 (0.51) SLC22A12CHEK1PIM1AKT1FLT3
SCHEMBL436939 0.76 NR4A2 (0.61) SLC22A12CHEK1PIM1AKT1FLT3
SCHEMBL359558 0.76 NT5E (0.50) SLC22A12CHEK1PIM1AKT1FLT3
SCHEMBL741042 0.76 SLC22A12 (0.53) SLC22A12CHEK1PIM1AKT1FLT3
SCHEMBL5539375 0.76 HTR1A (0.54) SLC22A12FLT3PIM3CDK8HTT
SCHEMBL729828 0.76 SLC22A12 (0.49) SLC22A12CHEK1PIM1AKT1FLT3

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-105143228-B [1,2,4] triazol [4,3 a] pyridine derivatives, its preparation method or its in application pharmaceutically 江苏豪森药业集团有限公司 2017-07-21 CN disclosed
CN-105143228-A [1,2,4]triazol[4,3-a]pyridine derivate, preparation method therefor or medical application thereof JIANGSU HANSOH PHARMACEUTICAL 2015-12-09 CN disclosed