SCHEMBL24542017

SCHEMBL24542017

CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccnc(C#N)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.41
DDR1 Q08345 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 2/20 0.39
CHEK1 O14757 1/20 0.39
ACHE P22303 1/20 0.39
MCHR1 Q99705 3/20 0.39
KDM4D Q6B0I6 1/20 0.38
MAPT P10636 1/20 0.38
UCHL1 P09936 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL29717801 1.00 RET (0.41) RETDDR1MEN1KMT2APOLB
SCHEMBL27197955 0.87 ACHE (0.42) MEN1KMT2APOLBCHEK1ACHE
SCHEMBL27197957 0.87 ACHE (0.42) MEN1KMT2APOLBCHEK1ACHE
SCHEMBL27197931 0.85 DDR1 (0.40) DDR1MEN1KMT2APOLBACHE
SCHEMBL24542019 0.85 DDR1 (0.40) DDR1MEN1KMT2APOLBACHE
SCHEMBL29717871 0.85 DDR1 (0.40) DDR1MEN1KMT2APOLBACHE
SCHEMBL29718129 0.81 JAK3 (0.49) RETKMT2AMCHR1
SCHEMBL24541967 0.81 JAK3 (0.49) RETKMT2AMCHR1
SCHEMBL19734754 0.79 BCHE (0.56) DDR1MEN1KMT2AACHE
SCHEMBL31140065 0.79 ROCK2 (0.34) DDR1MEN1KMT2APOLBMAPT

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-2022133064-A1 FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF MENIN-MLL INTERACTION BIOMEA FUSION, INC. (US) 2022-06-23 WO disclosed