SCHEMBL29968477

SCHEMBL29968477

FC(F)(F)Oc1ccnc(Nc2cc(N3CC4(CCNCC4)C3)nc(-c3cccnc3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.42
NPY5R Q15761 2/20 0.38
ABL1 P00519 3/20 0.38
DYRK1A Q13627 2/20 0.37
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
MAPKAPK2 P49137 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KIT P10721 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL23763376 1.00 PIM1 (0.42) PIM1NPY5RABL1DYRK1AWNT1
SCHEMBL29968465 0.95 PIM1 (0.38) PIM1NPY5RABL1DYRK1AMAPKAPK2
SCHEMBL23763099 0.95 PIM1 (0.38) PIM1NPY5RABL1DYRK1AMAPKAPK2
Hydrochloric Acid SCHEMBL29968224 0.94 PIM1 (0.38) PIM1NPY5RABL1DYRK1AMAPKAPK2
SCHEMBL29968473 0.91 MAPKAPK2 (0.38) PIM1NPY5RABL1MAPKAPK2ALDH1A1
SCHEMBL23763045 0.91 MAPKAPK2 (0.38) PIM1NPY5RABL1MAPKAPK2ALDH1A1
SCHEMBL23763377 0.90 PDE10A (0.37) NPY5RABL1DYRK1ACYP1A2CYP11B1
SCHEMBL29968504 0.90 PDE10A (0.37) NPY5RABL1DYRK1ACYP1A2CYP11B1
SCHEMBL23763040 0.89 ALDH1A1 (0.42) PIM1NPY5RABL1DYRK1AWNT1
SCHEMBL23763357 0.89 ABL1 (0.36) NPY5RABL1DYRK1AKITCYP11B1

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