SCHEMBL30451439

SCHEMBL30451439

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.46
PDPK1 O15530 1/20 0.43
DYRK1A Q13627 1/20 0.43
KMT2A Q03164 2/20 0.43
P2RX3 P56373 1/20 0.41
PIK3CA P42336 1/20 0.41
EPHX2 P34913 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CRBN Q96SW2 1/20 0.40

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
SCHEMBL31114623 0.95 LCK (0.50) LCKPDPK1DYRK1AKMT2AP2RX3
SCHEMBL25300411 0.95 LCK (0.50) LCKPDPK1DYRK1AKMT2AP2RX3
SCHEMBL30450749 0.88 DYRK1A (0.49) LCKDYRK1ANPC1RAB9A
SCHEMBL30450350 0.85 LCK (0.51) LCKPDPK1DYRK1AKMT2AEPHX2
SCHEMBL31114633 0.84 DYRK1A (0.51) LCKDYRK1A
SCHEMBL25303404 0.84 DYRK1A (0.51) LCKDYRK1A
SCHEMBL25303187 0.82 DYRK1A (0.54) LCKDYRK1AKMT2AMEN1
SCHEMBL30450170 0.82 DYRK1A (0.54) LCKDYRK1AKMT2AMEN1
SCHEMBL25304187 0.82 AXL (0.57) PIK3CAEPHX2NPC1RAB9A
SCHEMBL30450473 0.82 AXL (0.57) PIK3CAEPHX2NPC1RAB9A

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