SCHEMBL29601005

SCHEMBL29601005

COC(=O)c1ncc(F)cc1-c1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SRC P12931 4/20 0.37
BTK Q06187 2/20 0.37
RPS6KB1 P23443 1/20 0.37
CSNK1D P48730 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
NTRK2 Q16620 1/20 0.37
AURKB Q96GD4 1/20 0.37
ALPL P05186 1/20 0.36
MAPK14 Q16539 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36

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
SCHEMBL29599902 0.82 TTR (0.41) SRCBTKKDM4E
SCHEMBL29600750 0.81 BDKRB1 (0.35) PDK2ALPLABL1BDKRB1
SCHEMBL16634586 0.79 SLC6A4 (0.51) NPC1RAB9AL3MBTL1SLC6A4SLC6A3
SCHEMBL31372850 0.79 NPSR1 (0.38) NPC1RAB9ARPS6KB1CSNK1DGSK3A
SCHEMBL644695 0.78 NPSR1 (0.43) NPC1RAB9AALPLL3MBTL1KDM4E
SCHEMBL29738141 0.78 NPSR1 (0.43) NPC1RAB9AALPLL3MBTL1KDM4E
SCHEMBL30954987 0.78 SRC (0.33) SRCBTKPDGFRBFGFR1PDGFRA
SCHEMBL14260604 0.73 OPRK1 (0.47) PDK2NPC1RAB9AL3MBTL1SLC6A4
SCHEMBL2592299 0.73 AGBL2 (0.47) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL30960746 0.72 TUBB4A (0.40) ALDH1A1LMNAKMT2A

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-108715590-B Thiazolecarboxamide and picolinamide compounds useful as PIM kinase inhibitors 因赛特公司 2022-03-08 CN disclosed