SCHEMBL24101409

SCHEMBL24101409

CCOC(=O)Cc1csc(NC(=O)Cc2csc(Nc3cc(C)ccn3)n2)n1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.65
▸ MAPK1 P28482 3/20 0.61
▸ GAA P10253 1/20 0.60
▸ KMT2A Q03164 2/20 0.59
▸ POLB P06746 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ ESR2 Q92731 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ HTT P42858 3/20 0.58
▸ TP53 P04637 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ LMNA P02545 2/20 0.53
▸ TSHR P16473 1/20 0.53

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
SCHEMBL24101693 0.83 CCNK (0.70) TDP1MAPK1GAAKMT2APOLB
SCHEMBL24101404 0.83 CCNK (0.52) TDP1MAPK1GAAKMT2APOLB
SCHEMBL24101416 0.80 GAA (0.66) TDP1MAPK1GAAKMT2APOLB
SCHEMBL191582 0.79 ALDH1A1 (0.57) TDP1GAAKMT2AMEN1HTT
SCHEMBL24101952 0.79 MEN1 (0.52) TDP1MAPK1GAAKMT2AMEN1
SCHEMBL24101951 0.78 LMNA (0.57) TDP1MAPK1GAAKMT2AMEN1
SCHEMBL24101421 0.77 MAPT (0.77) TDP1GAAKMT2APOLBMEN1
SCHEMBL9232215 0.76 GAA (1.00) MAPK1GAAKMT2APOLBMEN1
SCHEMBL6520420 0.76 GAA (0.77) MAPK1GAAKMT2APOLBMEN1
SCHEMBL7503570 0.76 GAA (0.77) MAPK1GAAKMT2APOLBMEN1

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-2021249517-A1 A MOLECULAR GLUE REGULATING CDK12-DDB1 INTERACTION TO TRIGGER CYCLIN K DEGRADATION NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-12-16 — — WO disclosed
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