SCHEMBL29968592

SCHEMBL29968592

FC(F)(F)Oc1ccnc(Nc2ccncn2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.49
BCR P11274 9/20 0.49
MPL P40238 2/20 0.42
GSK3A P49840 1/20 0.42
CDK9 P50750 1/20 0.42
CDK5 Q00535 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
SCN9A Q15858 2/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
MAPKAPK2 P49137 1/20 0.40
FYN P06241 1/20 0.38
IGF1R P08069 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
Hydrochloric Acid SCHEMBL29969463 0.99 ABL1 (0.48) ABL1BCRMPLGSK3ACDK9
SCHEMBL29533576 0.77 BTK (0.39) ABL1BCRPIK3C3
SCHEMBL23753895 0.75 IGF1R (0.41) ABL1BCRSCN9AIGF1R
SCHEMBL26172196 0.75 BRAF (0.39) ABL1BCRIGF1R
SCHEMBL16996884 0.74 GSK3A (0.48) MPLGSK3ACDK9CDK5TAOK1
SCHEMBL25211019 0.74 KDR (0.40) ABL1BCRSCN9AIGF1R
SCHEMBL23763117 0.74 RXRA (0.43) ABL1BCRIGF1R
SCHEMBL23762957 0.73 KCNN3 (0.36) ABL1BCRSCN9AIGF1R
SCHEMBL29967969 0.73 KCNN3 (0.36) ABL1BCRSCN9AIGF1R
SCHEMBL26172595 0.73 IGF1R (0.44) IGF1R

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 2 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 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