SCHEMBL29968504

SCHEMBL29968504

FC(F)(F)Oc1ccnc(Nc2cc(N3CC4(CCOCC4)C3)nc(-c3cccnc3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
ABL1 P00519 2/20 0.37
BCR P11274 1/20 0.37
NPY5R Q15761 1/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
MAP3K12 Q12852 3/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 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
SCHEMBL23763377 1.00 PDE10A (0.37) PDE10AABL1BCRNPY5RPIK3CA
SCHEMBL23762940 0.91 HDAC1 (0.36) PDE10AABL1BCRNPY5RPIK3CA
SCHEMBL29967994 0.91 HDAC1 (0.36) PDE10AABL1BCRNPY5RPIK3CA
SCHEMBL23763376 0.90 PIM1 (0.42) ABL1NPY5RCYP11B1CYP11B2HDAC1
SCHEMBL29968477 0.90 PIM1 (0.42) ABL1NPY5RCYP11B1CYP11B2HDAC1
SCHEMBL23763040 0.89 ALDH1A1 (0.42) ABL1NPY5RHDAC1HDAC6CYP1A2
SCHEMBL29967980 0.89 ABL1 (0.48) PDE10AABL1BCRPIK3CAPIK3CB
SCHEMBL23753909 0.89 ABL1 (0.48) PDE10AABL1BCRPIK3CAPIK3CB
SCHEMBL23763357 0.89 ABL1 (0.36) ABL1NPY5RCYP11B1CYP11B2HDAC1
SCHEMBL23763057 0.89 ABL1 (0.40) ABL1NPY5RCYP11B1CYP11B2HDAC1

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