SCHEMBL28650168

SCHEMBL28650168

Cn1c(=O)n(C2CCCNC2)c2ccc(CCCOC3CCNCC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 1/20 0.40
▸ DDB1 Q16531 2/20 0.36
▸ CRBN Q96SW2 2/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ KDM1A O60341 3/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ GNRHR P30968 1/20 0.33
▸ HPD P32754 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ CREBBP Q92793 2/20 0.32
▸ POLB P06746 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
SCHEMBL30225594 0.96 NMT1 (0.39) NMT1DDB1CRBNDRD2SLC6A4
SCHEMBL28644888 0.96 NMT1 (0.40) NMT1DDB1CRBNPIK3CAPRKDC
SCHEMBL31282297 0.85 NMT1 (0.39) NMT1DDB1CRBNDRD2SLC6A4
SCHEMBL29991433 0.84 DDB1 (0.39) DDB1CRBNDRD2SLC6A4PIK3CA
SCHEMBL26634973 0.83 DDB1 (0.39) DDB1CRBNDRD2SLC6A4PIK3CA
SCHEMBL30225615 0.83 KHK (0.40) DDB1CRBNDRD2SLC6A4PIK3CA
SCHEMBL30225575 0.82 HDAC1 (0.40) DDB1CRBNDRD2SLC6A4HDAC1
SCHEMBL29172794 0.82 DDB1 (0.38) DDB1CRBNDRD2SLC6A4PIK3CA
SCHEMBL31282399 0.82 DDB1 (0.38) DDB1CRBNDRD2SLC6A4PIK3CA
SCHEMBL26635076 0.82 DDB1 (0.38) DDB1CRBNDRD2SLC6A4PIK3CA

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-113423427-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2021-09-21 — — CN disclosed
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