SCHEMBL30452041

SCHEMBL30452041

Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RET P07949 10/20 0.56
CCNE1 P24864 6/20 0.48
CDK2 P24941 6/20 0.48
TSHR P16473 1/20 0.44
IGF1R P08069 2/20 0.42
AURKA O14965 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
SCHEMBL28433635 1.00 RET (0.56) RETCCNE1CDK2TSHRIGF1R
SCHEMBL10060060 0.94 RET (0.56) RETCCNE1CDK2IGF1RAURKA
SCHEMBL31276189 0.85 RET (0.60) RETCCNE1CDK2TSHR
SCHEMBL21744548 0.82 RET (0.54) RETIGF1R
SCHEMBL28429868 0.82 RET (0.56) RET
SCHEMBL30452755 0.82 RET (0.56) RET
SCHEMBL10060059 0.81 SYK (0.47) RETCCNE1CDK2
SCHEMBL10060058 0.81 RET (0.56) RETCCNE1CDK2TSHRIGF1R
SCHEMBL3812064 0.81 RET (0.60) RETCCNE1CDK2TSHRIGF1R
SCHEMBL30250114 0.81 PAK1 (0.51) RETIGF1RAURKA

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