SCHEMBL28544147

SCHEMBL28544147

CC(C)C(CO)C(C(N)=O)N1CCN(c2nncc(-c3ccc4c(cnn4C)c3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 16/20 0.51
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ AR P10275 3/20 0.35

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
SCHEMBL18489986 1.00 CYP11B2 (0.51) CYP11B2JAK2JAK1TYK2JAK3
SCHEMBL21133412 0.78 CYP11B2 (0.69) CYP11B2
SCHEMBL18489989 0.78 CYP11B2 (0.69) CYP11B2
SCHEMBL17207634 0.77 CYP11B2 (0.68) CYP11B2
SCHEMBL18502910 0.73 CYP11B2 (0.68) CYP11B2
SCHEMBL20514060 0.71 PIM2 (0.42) CYP11B2
SCHEMBL17207706 0.64 ALDH1A1 (0.57) CYP11B2AR
SCHEMBL15345120 0.63 TRPA1 (0.47) CYP11B2AR
SCHEMBL18502909 0.62 TRPA1 (0.41) CYP11B2AR
SCHEMBL20402785 0.62 CYP11B2 (0.70) CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106232587-B Disubstituted 1,2, 4-triazine compounds 田边三菱制药株式会社 2021-04-13 — — CN disclosed
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