SCHEMBL30679334

SCHEMBL30679334

COc1ccc(Cn2nc(N3C(=O)c4ccccc4C3=O)cc2B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.45
NR1H3 Q13133 2/20 0.44
CASP3 P42574 2/20 0.43
GRM5 P41594 1/20 0.43
SCN2A Q99250 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
NR1H2 P55055 1/20 0.38
CHRM5 P08912 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
SCHEMBL26964638 1.00 UCHL1 (0.45) UCHL1NR1H3CASP3GRM5SCN2A
SCHEMBL30645657 0.79 NR1H3 (0.51) NR1H3CASP3GRM5MEN1APAF1
SCHEMBL26964772 0.79 NR1H3 (0.51) NR1H3CASP3GRM5MEN1APAF1
SCHEMBL30645633 0.76 NR1H3 (0.48) NR1H3CASP3GRM5MEN1APAF1
SCHEMBL26964577 0.76 NR1H3 (0.48) NR1H3CASP3GRM5MEN1APAF1
SCHEMBL25255372 0.76 UCHL1 (0.44) UCHL1
SCHEMBL17501098 0.72 UCHL1 (0.58) UCHL1MEN1KMT2A
SCHEMBL26964761 0.67 GRM5 (0.40) NR1H3CASP3GRM5
SCHEMBL28711094 0.67 UCHL1 (0.55) UCHL1MEN1GAAKMT2A
SCHEMBL17796390 0.67 GRM5 (0.48) NR1H3CASP3GRM5SCN2ASENP8

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
EP-4291176-A1 CDK INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2023-12-20 EP disclosed