SCHEMBL29968424

SCHEMBL29968424

FC(F)(F)Oc1ccnc(Nc2cc(Cl)nc(-c3ccccc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.47
KDR P35968 2/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
LTK P29376 1/20 0.47
MAP2K2 P36507 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
CDK5 Q00535 1/20 0.47
MAP2K1 Q02750 1/20 0.47
ACVR1 Q04771 1/20 0.47
PTK2 Q05397 1/20 0.47
NTRK3 Q16288 1/20 0.47

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
SCHEMBL23753897 1.00 IGF1R (0.47) IGF1RKDRMAP4K4ABL1LCK
SCHEMBL23762979 0.89 ABL1 (0.43) KDRABL1GSK3AGSK3BCDK5
SCHEMBL29968501 0.89 ABL1 (0.43) KDRABL1GSK3AGSK3BCDK5
SCHEMBL29967969 0.83 KCNN3 (0.36) IGF1RKDRABL1CTSCGRM5
SCHEMBL23762957 0.83 KCNN3 (0.36) IGF1RKDRABL1CTSCGRM5
SCHEMBL3451398 0.82 CHRNA7 (0.52) IGF1RKDRABL1ABCG2ABCB1
SCHEMBL23753895 0.77 IGF1R (0.41) IGF1RABL1GSK3BCTSCPLK1
SCHEMBL23753890 0.76 CYP11B1 (0.43) KDRABL1
SCHEMBL29967974 0.76 CYP11B1 (0.43) KDRABL1
SCHEMBL29968622 0.74 CYP1A2 (0.47) CLK4LMNA

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