SCHEMBL31115401

SCHEMBL31115401

CC1CC(c2cccc(NC(=O)OC(C)(C)C)c2)(c2nncn2C)C1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 19/20 0.63
▸ CBL P22681 17/20 0.51
▸ HCRTR1 O43613 1/20 0.45
▸ HCRTR2 O43614 1/20 0.45
▸ CBLC Q9ULV8 1/20 0.42

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
SCHEMBL31578412 1.00 CBLB (0.63) CBLBCBLHCRTR1HCRTR2CBLC
SCHEMBL24662647 0.87 CBLB (0.49) CBLBCBLHCRTR1HCRTR2
SCHEMBL25414601 0.80 CBLB (0.47) CBLBCBLCBLC
SCHEMBL25414599 0.80 CBLB (0.47) CBLBCBLCBLC
SCHEMBL22832453 0.78 CBLB (1.00) CBLBCBLCBLC
SCHEMBL22832452 0.78 CBLB (1.00) CBLBCBLCBLC
SCHEMBL22849971 0.78 CBLB (1.00) CBLBCBLCBLC
SCHEMBL29605918 0.78 CBLB (1.00) CBLBCBLCBLC
SCHEMBL24819995 0.76 CBLB (0.56) CBLBCBLCBLC
SCHEMBL30792039 0.76 CBLB (0.56) CBLBCBLCBLC

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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