SCHEMBL30577619

SCHEMBL30577619

CC1CC(NCc2cc(C(=O)O)nc3cc[nH]c23)C1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 8/20 0.33
▸ KAT2B Q92831 7/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ IGFBP3 P17936 1/20 0.31
▸ IGFBP5 P24593 1/20 0.31
▸ SETDB1 Q15047 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ PDCD1 Q15116 1/20 0.31
▸ CD274 Q9NZQ7 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
SCHEMBL30540487 0.80 CD38 (0.36) CD38JAK2PDCD1CD274
SCHEMBL30577598 0.78 JAK2 (0.30) JAK2JAK3
SCHEMBL30540576 0.77 KAT2B (0.36) CD38KAT2B
SCHEMBL30540594 0.77 CD38 (0.36) CD38ALOX15IGFBP3IGFBP5
SCHEMBL30540543 0.76 MPO (0.41) CD38
SCHEMBL25349795 0.75 CD38 (0.34) CD38ALOX15IGFBP3IGFBP5
SCHEMBL30540661 0.75 CD38 (0.34) CD38ALOX15IGFBP3IGFBP5
SCHEMBL30540502 0.75 MPO (0.38) CD38ALOX15IGFBP3IGFBP5
SCHEMBL30540566 0.75 CD38 (0.35) CD38ALOX15IGFBP3IGFBP5
SCHEMBL25348942 0.72 TERT (0.40) ALOX15

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-2023151641-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
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