SCHEMBL29968006

SCHEMBL29968006

FC(F)(F)Oc1ccnc(Nc2cc(N3CCC4(CCCNC4)CC3)nc(-c3cccnc3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
CDC42BPA Q5VT25 1/20 0.40
CDC42BPB Q9Y5S2 1/20 0.40
MAPKAPK2 P49137 5/20 0.39
ABL1 P00519 1/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
SCN9A Q15858 1/20 0.36
NPY5R Q15761 1/20 0.36
KDM6B O15054 2/20 0.36
NR1I2 O75469 1/20 0.36
CHRNA1 P02708 1/20 0.36
MAOB P27338 1/20 0.36
OPRM1 P35372 1/20 0.36
AHR P35869 1/20 0.36
AVPR1A P37288 1/20 0.36
OPRK1 P41145 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL23763087 1.00 PIM1 (0.40) PIM1ROCK2ROCK1CDC42BPACDC42BPB
Hydrochloric Acid SCHEMBL29968459 0.99 PIM1 (0.40) PIM1ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL29967990 0.95 ALDH1A1 (0.42) PIM1ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL23763037 0.95 ALDH1A1 (0.42) PIM1ROCK2ROCK1CDC42BPACDC42BPB
Hydrochloric Acid SCHEMBL29968440 0.95 ALDH1A1 (0.41) PIM1ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL23763045 0.93 MAPKAPK2 (0.38) PIM1ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL29968473 0.93 MAPKAPK2 (0.38) PIM1ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL23763059 0.93 NPY5R (0.38) PIM1ABL1HDAC1HDAC6SCN9A
SCHEMBL29967979 0.93 NPY5R (0.38) PIM1ABL1HDAC1HDAC6SCN9A
SCHEMBL23763007 0.90 NPY5R (0.37) PIM1ABL1HDAC1HDAC6SCN9A

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