SCHEMBL28670595

SCHEMBL28670595

CCCOc1cc(-c2ccc(F)nc2)c2c(C#N)cnn2c1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RET P07949 20/20 0.61

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
SCHEMBL20069346 0.93 RET (0.64) RET
SCHEMBL20068897 0.91 RET (0.66) RET
SCHEMBL29971635 0.91 RET (0.66) RET
SCHEMBL20069889 0.88 RET (0.58) RET
SCHEMBL31298344 0.86 RET (0.53) RET
SCHEMBL20906317 0.86 RET (0.62) RET
SCHEMBL31298307 0.86 RET (0.54) RET
SCHEMBL20069828 0.85 RET (0.69) RET
SCHEMBL31298329 0.85 RET (0.52) RET
SCHEMBL31470952 0.85 RET (0.52) 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-113683610-A RET inhibitor, pharmaceutical composition and application thereof 广东东阳光药业有限公司 2021-11-23 CN disclosed