SCHEMBL20069723

SCHEMBL20069723

CN(C)CC1(NC(=O)OCC(C)(C)C)CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.42
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 5/20 0.32
FSHR P23945 5/20 0.32
RORC P51449 1/20 0.31
CSNK1A1 P48729 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL21651959 0.86 RET (0.43) RETDPP8DPP9KMT2ATSHR
SCHEMBL20147517 0.85 RET (0.41) RETDPP8DPP9KMT2ATSHR
SCHEMBL20206052 0.84 RET (0.40) RETKMT2ATSHRFSHR
SCHEMBL20069713 0.81 RET (0.42) RETTSHRFSHRALDH1A1
SCHEMBL20069722 0.80 RET (0.43) RET
SCHEMBL20158431 0.72 RET (0.39) RETKMT2AALDH1A1
SCHEMBL20069525 0.71 RET (0.41) RETALDH1A1
SCHEMBL20069711 0.71 RET (0.40) RET
SCHEMBL20148067 0.71 RET (0.40) RETKMT2AMEN1ALDH1A1
SCHEMBL20068870 0.71 RET (0.40) RETKMT2AMEN1ALDH1A1

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
WO-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed