SCHEMBL29238711

SCHEMBL29238711

CSc1nc(NC(=O)C(N)C(C)O)c2ncn([C@]3(C=O)O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 2/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ TARS1 P26639 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ P2RY1 P47900 1/20 0.31
▸ P2RY12 Q9H244 1/20 0.31
▸ DOT1L Q8TEK3 1/20 0.30

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
SCHEMBL30950292 0.87 TARS1 (0.37) TARS1DOT1L
SCHEMBL29413061 0.86 HTR2B (0.35) HTR2BHTR2CADORA3ADRA2BHTR2A
SCHEMBL26090156 0.86 HTR2B (0.35) HTR2BHTR2CADORA3ADRA2BHTR2A
SCHEMBL28433831 0.82 HTR2C (0.33) HTR2BHTR2C
SCHEMBL28894183 0.78 ADORA3 (0.54) ADORA3KDM4EPKM
SCHEMBL28894185 0.78 ADORA3 (0.54) ADORA3KDM4EPKM
SCHEMBL29089525 0.74 TARS1 (0.39) TARS1
SCHEMBL27721224 0.74 HTR2B (0.34) HTR2BHTR2CADORA3ADRA2BHTR2A
SCHEMBL28662239 0.73 ADORA2A (0.38) —
SCHEMBL1274809 0.73 ADORA3 (0.51) ADORA3KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118251494-A Compositions and methods for modulating KRAS expression 美国微哲默理有限责任公司 2024-06-25 — — CN disclosed
CN-118176299-A Compositions and methods for modulating NLRP3 or NLRP1 expression 美国微哲默理有限责任公司 2024-06-11 — — CN disclosed
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