SCHEMBL28607601

SCHEMBL28607601

CCC[C@H](C)Oc1ccc([C@H](C)NC(=O)N2CCN(c3nc(C)cc(Nc4cc(C)[nH]n4)n3)CC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RET P07949 20/20 0.53

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
SCHEMBL31276018 1.00 RET (0.53) RET
SCHEMBL28601251 0.91 RET (0.57) RET
SCHEMBL28601250 0.91 RET (0.57) RET
SCHEMBL31275853 0.91 RET (0.57) RET
SCHEMBL21744883 0.90 RET (0.56) RET
SCHEMBL21744642 0.90 RET (0.56) RET
SCHEMBL21744948 0.90 RET (0.56) RET
SCHEMBL21744874 0.85 RET (0.53) RET
SCHEMBL21744636 0.85 RET (0.47) RET
SCHEMBL21744640 0.82 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-113135896-A Methylpyrazole derivatives as RET inhibitors 正大天晴药业集团股份有限公司 2021-07-20 CN disclosed