SCHEMBL26635076

SCHEMBL26635076

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 2/20 0.38
▸ CRBN Q96SW2 2/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ HPD P32754 2/20 0.34
▸ CACNA1G O43497 3/20 0.33
▸ CACNA1H O95180 3/20 0.33
▸ SIGMAR1 Q99720 1/20 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
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HTR3E A5X5Y0 1/20 0.32

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
SCHEMBL31282399 1.00 DDB1 (0.38) DDB1CRBNHDAC1DRD2SLC6A4
SCHEMBL29172794 1.00 DDB1 (0.38) DDB1CRBNHDAC1DRD2SLC6A4
SCHEMBL26634973 0.99 DDB1 (0.39) DDB1CRBNHDAC1DRD2SLC6A4
SCHEMBL30225575 0.90 HDAC1 (0.40) DDB1CRBNHDAC1DRD2SLC6A4
SCHEMBL29991433 0.88 DDB1 (0.39) DDB1CRBNHDAC1DRD2SLC6A4
SCHEMBL31282297 0.86 NMT1 (0.39) DDB1CRBNHDAC1DRD2SLC6A4
SCHEMBL30225594 0.85 NMT1 (0.39) DDB1CRBNHDAC1DRD2SLC6A4
SCHEMBL30317066 0.84 DRD2 (0.35) DDB1CRBNHDAC1DRD2SLC6A4
SCHEMBL30317114 0.82 DRD2 (0.40) DDB1CRBNHDAC1DRD2SLC6A4
SCHEMBL30225615 0.82 KHK (0.40) DDB1CRBNHDAC1DRD2SLC6A4

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
WO-2023215906-A1 KRAS G12D PROTEOLYSIS TARGETING CHIMERAS HANGZHOU JIJING PHARMACEUTICALTECHNOLOGY LIMITED (CN) 2023-11-09 — — WO disclosed
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