SCHEMBL21801368

SCHEMBL21801368

CC(C)n1c(CCCO)c(I)c2c(Cl)ncnc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.33
ADK P55263 5/20 0.33
SLC29A1 Q99808 1/20 0.33
MEN1 O00255 1/20 0.30
NR2F2 P24468 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21178876 0.87 RET (0.40) RETADKSLC29A1MEN1NR2F2
SCHEMBL21801527 0.79
SCHEMBL21801405 0.78 L3MBTL1 (0.35) RETMEN1KMT2A
SCHEMBL22037128 0.75 MEN1 (0.41) RETADKSLC29A1MEN1NR2F2
SCHEMBL21178731 0.73 ADK (0.31) ADK
SCHEMBL18341927 0.69 RET (0.37) RETADKMEN1NR2F2KMT2A
SCHEMBL21801349 0.67 RET (0.51) RET
SCHEMBL30893381 0.63 MEN1 (0.41) RETADKMEN1NR2F2KMT2A
SCHEMBL3632947 0.61 ALDH1A1 (0.35)
SCHEMBL407871 0.61 ADK (0.46) RETADKSLC29A1MEN1NR2F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3849986-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma, Inc. (US) 2021-07-21 EP disclosed
WO-2020055672-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-03-19 WO disclosed