SCHEMBL29969336

SCHEMBL29969336

FC(F)(F)Oc1ccnc(Nc2cc(N3CCC4(CNC4)C3)nc(-c3cccnc3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.37
PIM1 P11309 2/20 0.37
PTPN11 Q06124 1/20 0.37
ABL1 P00519 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
SCN9A Q15858 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36
KDM6B O15054 2/20 0.35
NR1I2 O75469 1/20 0.35
CHRNA1 P02708 1/20 0.35
MAOB P27338 1/20 0.35
OPRM1 P35372 1/20 0.35
AHR P35869 1/20 0.35
AVPR1A P37288 1/20 0.35
OPRK1 P41145 1/20 0.35
PDE4B Q07343 1/20 0.35
SCN5A Q14524 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL23763007 1.00 NPY5R (0.37) NPY5RPIM1PTPN11ABL1HDAC1
Hydrochloric Acid SCHEMBL29967952 0.99 NPY5R (0.37) NPY5RPIM1PTPN11ABL1HDAC1
SCHEMBL29968017 0.95 EIF2AK4 (0.41) NPY5RABL1HDAC1HDAC6EIF2AK4
SCHEMBL23763325 0.95 EIF2AK4 (0.41) NPY5RABL1HDAC1HDAC6EIF2AK4
SCHEMBL29967979 0.95 NPY5R (0.38) NPY5RPIM1ABL1HDAC1HDAC6
SCHEMBL23763059 0.95 NPY5R (0.38) NPY5RPIM1ABL1HDAC1HDAC6
SCHEMBL23763037 0.93 ALDH1A1 (0.42) PIM1ABL1
SCHEMBL29967990 0.93 ALDH1A1 (0.42) PIM1ABL1
Hydrochloric Acid SCHEMBL29968440 0.93 ALDH1A1 (0.41) PIM1ABL1
SCHEMBL23763067 0.91 HDAC1 (0.40) NPY5RPIM1ABL1HDAC1HDAC6

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