SCHEMBL29690741

SCHEMBL29690741

COc1cc(C)c(Sc2cnc(N)s2)c(C)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ITK Q08881 4/20 0.33
JAK3 P52333 4/20 0.33
TXK P42681 3/20 0.33
BTK Q06187 3/20 0.33
NEK2 P51955 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL29137809 0.90 NEK2 (0.36) POLBMEN1CYP3A4MAPTHPGD
SCHEMBL29690734 0.90 NEK2 (0.36) POLBMEN1CYP3A4MAPTHPGD
SCHEMBL29137807 0.89 ITK (0.32) POLBITKJAK3TXKBTK
SCHEMBL29690975 0.89 ITK (0.32) POLBITKJAK3TXKBTK
SCHEMBL5657783 0.78 JAK3 (0.47) ITKJAK3TXKBTK
SCHEMBL29932902 0.78 JAK3 (0.47) ITKJAK3TXKBTK
SCHEMBL20162005 0.72 JAK3 (0.39) ITKJAK3TXKBTK
SCHEMBL20161728 0.71 TXK (0.45) HPGDITKJAK3TXKBTK
SCHEMBL29932895 0.71 TXK (0.45) HPGDITKJAK3TXKBTK
SCHEMBL20161423 0.70 JAK3 (0.47) ITKJAK3TXKBTK

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-114605404-B Novel thiazole-containing compound, intermediate and application thereof 合肥美诺医药有限公司 2024-01-05 CN disclosed
CN-114605404-A Novel thiazole-containing compound, intermediate and application thereof 苏州美诺医药科技有限公司 2022-06-10 CN disclosed