SCHEMBL28609293

SCHEMBL28609293

Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCN(C(=O)NC(C)c3ccc(C4CC4)nc3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RET P07949 20/20 0.55
JAK2 O60674 1/20 0.46
KIF5B P33176 1/20 0.46
KDR P35968 1/20 0.46
FLT3 P36888 1/20 0.46
CCDC6 Q16204 1/20 0.46

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
SCHEMBL31275675 1.00 RET (0.55) RETJAK2KIF5BKDRFLT3
SCHEMBL28609291 1.00 RET (0.55) RETJAK2KIF5BKDRFLT3
SCHEMBL21744640 0.86 RET (0.56) RETJAK2FLT3
SCHEMBL21744882 0.86 RET (0.56) RETJAK2FLT3
SCHEMBL21744878 0.86 RET (0.56) RETJAK2FLT3
SCHEMBL31275835 0.86 RET (0.58) RETJAK2KIF5BKDRFLT3
SCHEMBL28611812 0.86 RET (0.58) RETJAK2KIF5BKDRFLT3
SCHEMBL28611813 0.86 RET (0.58) RETJAK2KIF5BKDRFLT3
SCHEMBL31275936 0.85 RET (0.55) RETJAK2FLT3
SCHEMBL31275853 0.85 RET (0.57) RETJAK2KIF5BKDRFLT3

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