SCHEMBL31227772

SCHEMBL31227772

Nc1nccc(N2CC[C@H](O)C2)n1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.65
▸ CDK1 P06493 2/20 0.56
▸ CDK2 P24941 2/20 0.56
▸ HRH4 Q9H3N8 3/20 0.54
▸ SMPD3 Q9NY59 3/20 0.44
▸ CCNC P24863 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ PDE10A Q9Y233 2/20 0.43
▸ BTK Q06187 1/20 0.43
▸ ROCK1 Q13464 3/20 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
SCHEMBL31247170 1.00 HRH3 (0.65) HRH3CDK1CDK2HRH4SMPD3
SCHEMBL31227534 1.00 HRH3 (0.65) HRH3CDK1CDK2HRH4SMPD3
SCHEMBL31227587 0.91 HRH3 (0.57) HRH3CDK1CDK2HRH4SMPD3
SCHEMBL31227779 0.91 HRH3 (0.57) HRH3CDK1CDK2HRH4SMPD3
SCHEMBL31246523 0.91 HRH3 (0.57) HRH3CDK1CDK2HRH4SMPD3
SCHEMBL27730153 0.87 HRH3 (0.58) HRH3CDK1CDK2HRH4ROCK1
SCHEMBL31227206 0.87 HRH3 (0.58) HRH3CDK1CDK2HRH4ROCK1
SCHEMBL13018656 0.83 HRH3 (0.82) HRH3HRH4
SCHEMBL18691295 0.83 HRH3 (0.71) HRH3CDK1CDK2HRH4CCNC
SCHEMBL17626721 0.83 HRH3 (0.71) HRH3CDK1CDK2HRH4CCNC

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-2024226875-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR ATTENUATION OF MAMMALIAN TRANSLATION OF C-MYC OR N-MYC PROTEINS OF THE MYC PROTO-ONCOGENE FAMILY OF BHLH TRANSCRIPTION FACTORS INITIAL THERAPEUTICS, INC. (US) 2024-10-31 — — WO disclosed
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