SCHEMBL30452005

SCHEMBL30452005

COc1ccc(CC(=O)NC2CCN(c3nc(C)cc(Nc4cc(C)[nH]n4)n3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RET P07949 16/20 0.66
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
JAK2 O60674 1/20 0.51
EPHX2 P34913 1/20 0.49
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL28429908 1.00 RET (0.66) RETCCNE1CDK2JAK2EPHX2
SCHEMBL28434212 0.88 RET (0.55) RETCCNE1CDK2
SCHEMBL28432516 0.88 RET (0.62) RETCCNE1CDK2
SCHEMBL28432494 0.88 RET (0.55) RETCCNE1CDK2
SCHEMBL30451994 0.88 RET (0.55) RETCCNE1CDK2
SCHEMBL28440184 0.83 RET (0.58) RET
SCHEMBL28430448 0.83 RET (0.55) RETCCNE1CDK2
SCHEMBL28437649 0.82 RET (0.56) RET
SCHEMBL31276189 0.81 RET (0.60) RETCCNE1CDK2
SCHEMBL19795809 0.80 RET (1.00) 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