SCHEMBL29967994

SCHEMBL29967994

FC(F)(F)Oc1ccnc(Nc2cc(N3CC4(CCCOC4)C3)nc(-c3cccnc3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
PDE10A Q9Y233 1/20 0.36
MAP3K12 Q12852 1/20 0.35
ABL1 P00519 5/20 0.35
NPY5R Q15761 1/20 0.35
KDM6B O15054 2/20 0.34
KDM2B Q8NHM5 2/20 0.34
NR1I2 O75469 1/20 0.34
CHRNA1 P02708 1/20 0.34
MAOB P27338 1/20 0.34
OPRM1 P35372 1/20 0.34
AHR P35869 1/20 0.34
AVPR1A P37288 1/20 0.34
OPRK1 P41145 1/20 0.34
PDE4B Q07343 1/20 0.34
SCN5A Q14524 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
PHF8 Q9UPP1 1/20 0.34

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
SCHEMBL23762940 1.00 HDAC1 (0.36) HDAC1HDAC6PDE10AMAP3K12ABL1
SCHEMBL23763377 0.91 PDE10A (0.37) HDAC1HDAC6PDE10AMAP3K12ABL1
SCHEMBL29968504 0.91 PDE10A (0.37) HDAC1HDAC6PDE10AMAP3K12ABL1
SCHEMBL29968552 0.87 ABL1 (0.39) HDAC1HDAC6PDE10AABL1NPY5R
SCHEMBL23763310 0.87 ABL1 (0.39) HDAC1HDAC6PDE10AABL1NPY5R
SCHEMBL23763067 0.87 HDAC1 (0.40) HDAC1HDAC6MAP3K12ABL1NPY5R
SCHEMBL29968202 0.87 HDAC1 (0.40) HDAC1HDAC6MAP3K12ABL1NPY5R
SCHEMBL23763045 0.86 MAPKAPK2 (0.38) HDAC1HDAC6ABL1NPY5RKIT
SCHEMBL29968473 0.86 MAPKAPK2 (0.38) HDAC1HDAC6ABL1NPY5RKIT
SCHEMBL23763376 0.86 PIM1 (0.42) HDAC1HDAC6ABL1NPY5RKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151534-B Inhibitors of interleukin-1 receptor associated kinase (IRAK)/FMS-like receptor tyrosine kinase (FLT 3), pharmaceutical products thereof and methods of use thereof 南京药石科技股份有限公司 2024-02-06 CN claimed
CN-115151534-A Inhibitors of interleukin-1 receptor-related kinase (IRAK)/FMS-like receptor tyrosine kinase (FLT 3), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2022-10-04 CN claimed
CN-115151534-B Inhibitors of interleukin-1 receptor associated kinase (IRAK)/FMS-like receptor tyrosine kinase (FLT 3), pharmaceutical products thereof and methods of use thereof 南京药石科技股份有限公司 2024-02-06 CN disclosed
CN-115151534-A Inhibitors of interleukin-1 receptor-related kinase (IRAK)/FMS-like receptor tyrosine kinase (FLT 3), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2022-10-04 CN disclosed