SCHEMBL29967969

SCHEMBL29967969

FC(F)(F)Oc1ccnc(Nc2cc(Cl)nc(Cl)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 2/20 0.36
CHRNA7 P36544 5/20 0.36
BRAF P15056 3/20 0.36
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
ATF1 P18846 1/20 0.36
NFKB1 P19838 1/20 0.36
CTSC P53634 1/20 0.36
IGF1R P08069 2/20 0.35
KCNH2 Q12809 2/20 0.35
ADRB3 P13945 1/20 0.35
TSPO P30536 1/20 0.35
GRM5 P41594 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GPR35 Q9HC97 1/20 0.35
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
TGFBR1 P36897 2/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL23762957 1.00 KCNN3 (0.36) KCNN3CHRNA7BRAFABL1BCR
SCHEMBL23753895 0.83 IGF1R (0.41) KCNN3CHRNA7BRAFABL1BCR
SCHEMBL29968424 0.83 IGF1R (0.47) CHRNA7ABL1CTSCIGF1RGRM5
SCHEMBL23753897 0.83 IGF1R (0.47) CHRNA7ABL1CTSCIGF1RGRM5
SCHEMBL23763157 0.83 ABL1 (0.52) ABL1BCR
SCHEMBL29968514 0.83 ABL1 (0.52) ABL1BCR
SCHEMBL23762979 0.79 ABL1 (0.43) ABL1KCNH2KDR
SCHEMBL29968501 0.79 ABL1 (0.43) ABL1KCNH2KDR
SCHEMBL28958638 0.79 CTSC (0.49) BRAFABL1BCRCTSCIGF1R
SCHEMBL3452003 0.79 CHRNA7 (0.52) CHRNA7ABL1BCRCTSCKCNH2

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