SCHEMBL31115368

SCHEMBL31115368

CC1CC(c2cncc(NC(=O)c3ccc4ccsc4n3)c2)(c2nncn2C)C1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 19/20 0.52
▸ CBLC Q9ULV8 2/20 0.38
▸ CBL P22681 12/20 0.36
▸ NTRK1 P04629 1/20 0.33

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
SCHEMBL30625596 0.83 CBLB (0.53) CBLBCBLCCBL
SCHEMBL31578283 0.82 CBLB (0.47) CBLBCBLCCBL
SCHEMBL31578363 0.81 CBLB (0.47) CBLBCBLCCBL
SCHEMBL31115353 0.81 CBLB (0.51) CBLBCBLCCBLNTRK1
SCHEMBL31578312 0.80 CBLB (0.46) CBLBCBLCCBLNTRK1
SCHEMBL25359943 0.80 CBLB (0.52) CBLBCBLCCBL
SCHEMBL25348974 0.80 CBLB (0.50) CBLBCBLCCBL
SCHEMBL30540601 0.76 CBLB (0.49) CBLBCBLCCBL
SCHEMBL30540522 0.76 CBLB (0.49) CBLBCBLCCBL
SCHEMBL30625539 0.74 CBLB (0.49) CBLBCBLCCBL

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
CN-118696043-A Heterocyclic compounds, compositions thereof and methods of treatment therewith 百济神州有限公司 2024-09-24 — — CN disclosed
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