SCHEMBL30725430

SCHEMBL30725430

CC(C)(C)OC(=O)n1ccc(-c2nc(Cl)ncc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ TTK P33981 1/20 0.34
▸ CKS1B P61024 2/20 0.33
▸ SKP1 P63208 2/20 0.33
▸ SKP2 Q13309 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ BTK Q06187 1/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CCNK O75909 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CCND3 P30281 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CDK6 Q00534 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PIK3R1 P27986 1/20 0.31

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
SCHEMBL29174599 1.00 STK17B (0.39) STK17BSTK17AHSP90AA1HSP90AB1TTK
SCHEMBL29174706 0.86 HSP90AA1 (0.36) STK17BSTK17AHSP90AA1HSP90AB1TTK
SCHEMBL30725531 0.86 HSP90AA1 (0.36) STK17BSTK17AHSP90AA1HSP90AB1TTK
SCHEMBL25329417 0.77 STK17B (0.42) STK17BSTK17AHSP90AA1HSP90AB1TTK
SCHEMBL30725475 0.77 STK17B (0.42) STK17BSTK17AHSP90AA1HSP90AB1TTK
SCHEMBL30493899 0.76 SYK (0.40) STK17BSTK17ATTKBTKSCN9A
SCHEMBL14771769 0.75 STK17B (0.35) STK17BSTK17AHSP90AA1HSP90AB1POLB
SCHEMBL30725494 0.72 MAP2K4 (0.41) STK17BSTK17AHSP90AA1HSP90AB1TTK
SCHEMBL16653684 0.72 MAP2K4 (0.41) STK17BSTK17AHSP90AA1HSP90AB1TTK
SCHEMBL30919548 0.70 PDK4 (0.39) STK17BSTK17ACKS1BSKP1SKP2

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-117430589-A 2-aminopyrimidine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-01-23 — — CN disclosed
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