SCHEMBL29230243

SCHEMBL29230243

CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(N)nc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ POLB P06746 1/20 0.51
▸ PIK3CA P42336 1/20 0.48
▸ HDAC4 P56524 1/20 0.47
▸ MAP4K4 O95819 1/20 0.46
▸ CKS1B P61024 1/20 0.44
▸ SKP1 P63208 1/20 0.44
▸ SKP2 Q13309 1/20 0.44
▸ DYRK2 Q92630 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ GPR119 Q8TDV5 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ RIN1 Q13671 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ SCD5 Q86SK9 1/20 0.43
▸ SETD7 Q8WTS6 1/20 0.43

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
SCHEMBL1990029 0.85 KMT2A (0.57) MEN1KMT2APOLBHDAC4MAP4K4
SCHEMBL34472870 0.84 MEN1 (0.53) MEN1KMT2APOLBHDAC4CKS1B
SCHEMBL16892019 0.83 PIK3CA (0.59) MEN1KMT2APIK3CAMAP4K4CKS1B
SCHEMBL34473168 0.82 MEN1 (0.57) MEN1KMT2APOLBHDAC4GPR119
SCHEMBL13872069 0.82 KMT2A (0.60) MEN1KMT2APOLBHDAC4CKS1B
SCHEMBL4298854 0.81 HPGDS (0.59) MEN1KMT2APOLBHDAC4CKS1B
SCHEMBL28050305 0.81 RAB9A (0.37) MEN1KMT2ARAB9A
SCHEMBL24756635 0.80 MEN1 (0.51) MEN1KMT2APOLBHDAC4GPR119
SCHEMBL3297334 0.80 KMT2A (0.57) MEN1KMT2APOLBHDAC4CKS1B
SCHEMBL6178837 0.80 MEN1 (0.54) MEN1KMT2APOLBHDAC4MAP4K4

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-118146213-A Benzothiazole pyrimidine amine DYRK2 inhibitor and preparation method and application thereof 江苏天士力帝益药业有限公司 2024-06-07 — — CN disclosed
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