SCHEMBL29967974

SCHEMBL29967974

Oc1cc(Nc2cc(OC(F)(F)F)ccn2)nc(-c2cccnc2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
NPY5R Q15761 2/20 0.43
ABL1 P00519 6/20 0.42
OPRM1 P35372 1/20 0.42
KCNH2 Q12809 1/20 0.42
AHR P35869 1/20 0.42
KDR P35968 2/20 0.41
DYRK1A Q13627 1/20 0.41
CYP1A2 P05177 2/20 0.39
KARS1 Q15046 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CBFB Q13951 1/20 0.39
EGFR P00533 1/20 0.39
FGFR1 P11362 1/20 0.39

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
SCHEMBL23753890 1.00 CYP11B1 (0.43) CYP11B1CYP11B2NPY5RABL1OPRM1
SCHEMBL29968501 0.87 ABL1 (0.43) CYP11B1CYP11B2NPY5RABL1OPRM1
SCHEMBL23762979 0.87 ABL1 (0.43) CYP11B1CYP11B2NPY5RABL1OPRM1
SCHEMBL29968622 0.87 CYP1A2 (0.47) CYP11B1CYP11B2NPY5RDYRK1ACYP1A2
SCHEMBL29970429 0.87 CYP1A2 (0.47) CYP11B1CYP11B2NPY5RDYRK1ACYP1A2
SCHEMBL23763333 0.81 HDAC1 (0.50) ABL1OPRM1AHRCYP1A2CYP3A4
SCHEMBL29968113 0.81 HDAC1 (0.50) ABL1OPRM1AHRCYP1A2CYP3A4
SCHEMBL23762999 0.80 PIM1 (0.47) CYP11B1CYP11B2NPY5RKCNH2
SCHEMBL23753909 0.80 ABL1 (0.48) ABL1DYRK1ACYP1A2CYP3A4CYP2C9
SCHEMBL29967855 0.80 PIM1 (0.47) CYP11B1CYP11B2NPY5RKCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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