SCHEMBL30450170

SCHEMBL30450170

CC(C)(C)OC(=O)Nc1nc2ccc(Nc3ccc(OC(F)(F)F)cn3)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.54
LCK P06239 9/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
RAF1 P04049 1/20 0.45
BRAF P15056 1/20 0.45
CSNK1D P48730 4/20 0.45
IDH1 O75874 1/20 0.44
WNT3A P56704 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL25303187 1.00 DYRK1A (0.54) DYRK1ALCKHDAC3HDAC4HDAC1
SCHEMBL30450749 0.95 DYRK1A (0.49) DYRK1ALCKHDAC3HDAC4HDAC1
SCHEMBL31114633 0.87 DYRK1A (0.51) DYRK1ALCKCSNK1D
SCHEMBL25303404 0.87 DYRK1A (0.51) DYRK1ALCKCSNK1D
SCHEMBL31114623 0.87 LCK (0.50) DYRK1ALCKMEN1KMT2A
SCHEMBL25300411 0.87 LCK (0.50) DYRK1ALCKMEN1KMT2A
SCHEMBL28589359 0.84 DYRK1A (0.74) DYRK1ALCKHDAC3HDAC4HDAC1
SCHEMBL30451439 0.82 LCK (0.46) DYRK1ALCKMEN1KMT2A
SCHEMBL25256567 0.81 LCK (0.54) LCKKDM4EMAPTKMT2ATDP1
SCHEMBL30451152 0.81 LCK (0.54) LCKKDM4EMAPTKMT2ATDP1

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-4460500-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2024-11-13 EP disclosed
WO-2023131649-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-07-13 WO disclosed