SCHEMBL29968552

SCHEMBL29968552

FC(F)(F)Oc1ccnc(Nc2cc(N3CCC4(CC3)COC4)nc(-c3cccnc3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
KDM6B O15054 2/20 0.38
KDM2B Q8NHM5 2/20 0.38
NR1I2 O75469 1/20 0.38
CHRNA1 P02708 1/20 0.38
MAOB P27338 1/20 0.38
OPRM1 P35372 1/20 0.38
AHR P35869 1/20 0.38
AVPR1A P37288 1/20 0.38
OPRK1 P41145 1/20 0.38
PDE4B Q07343 1/20 0.38
SCN5A Q14524 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
PDE10A Q9Y233 1/20 0.37
BCR P11274 1/20 0.37

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
SCHEMBL23763310 1.00 ABL1 (0.39) ABL1HDAC1HDAC6KDM6BKDM2B
SCHEMBL23763059 0.90 NPY5R (0.38) ABL1HDAC1HDAC6KDM6BKDM2B
SCHEMBL29967979 0.90 NPY5R (0.38) ABL1HDAC1HDAC6KDM6BKDM2B
SCHEMBL29967980 0.89 ABL1 (0.48) ABL1HDAC1HDAC6PDE10ABCR
SCHEMBL23753909 0.89 ABL1 (0.48) ABL1HDAC1HDAC6PDE10ABCR
SCHEMBL23763311 0.88 HDAC1 (0.40) ABL1HDAC1HDAC6KDM6BKDM2B
SCHEMBL23763135 0.88 KDM6B (0.38) ABL1HDAC1HDAC6KDM6BKDM2B
SCHEMBL23763371 0.88 HDAC1 (0.39) ABL1HDAC1HDAC6KDM6BKDM2B
SCHEMBL23763132 0.88 HDAC1 (0.39) ABL1HDAC1HDAC6KDM6BKDM2B
SCHEMBL23763067 0.88 HDAC1 (0.40) ABL1HDAC1HDAC6KDM6BKDM2B

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