SCHEMBL30451994

SCHEMBL30451994

COc1ccc(CC(=O)NC2CCN(c3nc(C)cc(Nc4cc(C)[nH]n4)n3)CC2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RET P07949 15/20 0.55
CCNE1 P24864 5/20 0.49
CDK2 P24941 5/20 0.49

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
SCHEMBL28432494 1.00 RET (0.55) RETCCNE1CDK2
SCHEMBL28429908 0.88 RET (0.66) RETCCNE1CDK2
SCHEMBL30452005 0.88 RET (0.66) RETCCNE1CDK2
SCHEMBL28434212 0.85 RET (0.55) RETCCNE1CDK2
SCHEMBL28432516 0.84 RET (0.62) RETCCNE1CDK2
SCHEMBL28430448 0.80 RET (0.55) RETCCNE1CDK2
SCHEMBL28440184 0.80 RET (0.58) RET
SCHEMBL28438511 0.79 RET (0.55) RET
SCHEMBL28430460 0.79 RET (0.53) RETCCNE1CDK2
SCHEMBL28437649 0.79 RET (0.56) RET

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-111484479-B Azacyclic compounds, pharmaceutical compositions containing the same, and methods of making and using the same 四川科伦博泰生物医药股份有限公司 2023-06-13 CN disclosed