SCHEMBL30577629

SCHEMBL30577629

CC1CC(c2cccc(NC(=O)c3cc(CN4CCC[C@H](C)C4)c4ccccc4n3)c2)(c2nncn2C)C1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 17/20 0.60
▸ CBLC Q9ULV8 2/20 0.57
▸ MEN1 O00255 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TERT O14746 1/20 0.39
▸ CBL P22681 4/20 0.39

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
SCHEMBL30540640 0.89 CBLB (0.68) CBLBCBLCTERTCBL
SCHEMBL30577666 0.89 CBLB (0.57) CBLBCBLCCBL
SCHEMBL30540697 0.88 CBLB (0.59) CBLBCBLCTERTCBL
SCHEMBL30540618 0.88 CBLB (0.59) CBLBCBLCTERTCBL
SCHEMBL30540495 0.88 CBLB (0.59) CBLBCBLCTERTCBL
SCHEMBL30540510 0.88 CBLB (0.58) CBLBCBLCTERTCBL
SCHEMBL25361581 0.86 CBLB (0.57) CBLBCBLCTERTCBL
SCHEMBL30625505 0.86 CBLB (0.57) CBLBCBLCTERTCBL
SCHEMBL25361343 0.85 CBLB (0.56) CBLBCBLCCBL
SCHEMBL25360785 0.85 CBLB (0.56) CBLBCBLCTERTCBL

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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