SCHEMBL31115353

SCHEMBL31115353

CC1CC(c2cncc(NC(=O)c3ccc4[nH]ccc4n3)c2)(c2nncn2C)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 17/20 0.51
▸ CBLC Q9ULV8 2/20 0.46
▸ NTRK1 P04629 2/20 0.44
▸ CBL P22681 10/20 0.39
▸ KDM5A P29375 1/20 0.34

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
SCHEMBL31115390 0.89 CBLB (0.64) CBLBCBLCCBL
SCHEMBL30577680 0.88 CBLB (0.51) CBLBCBLCNTRK1CBLKDM5A
SCHEMBL25348974 0.83 CBLB (0.50) CBLBCBLCCBL
SCHEMBL30625596 0.82 CBLB (0.53) CBLBCBLCCBL
SCHEMBL31578368 0.82 CBLB (0.48) CBLBCBLCCBL
SCHEMBL31115368 0.81 CBLB (0.52) CBLBCBLCNTRK1CBL
SCHEMBL31578219 0.81 CBLB (0.50) CBLBCBLCNTRK1CBL
SCHEMBL31578324 0.81 CBLB (0.51) CBLBCBLCCBL
SCHEMBL31578336 0.81 CBLB (0.49) CBLBCBLCNTRK1CBL
SCHEMBL31578211 0.81 CBLB (0.48) 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
Send feedback