SCHEMBL30451627

SCHEMBL30451627

COc1cc(Nc2ccc3nc(N)sc3c2)ccn1.COc1cc(Nc2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.49
WNT3A P56704 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 2/20 0.42
SCD O00767 1/20 0.42
PIK3CG P48736 1/20 0.41
SYK P43405 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
EPHX2 P34913 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL25259071 0.94 LCK (0.53) LCKWNT3AKDM4EMAPTTDP1
SCHEMBL31114518 0.94 LCK (0.53) LCKWNT3AKDM4EMAPTTDP1
SCHEMBL30450911 0.87 LCK (0.46) LCKRAB9AEPHX2NPC1
SCHEMBL25304126 0.83 SYK (0.55) KDM4EMAPTMEN1ALDH1A1GAA
SCHEMBL30451455 0.83 SYK (0.55) KDM4EMAPTMEN1ALDH1A1GAA
SCHEMBL31114539 0.82 LCK (0.52) LCKKDM4EMAPTTDP1MEN1
SCHEMBL25303173 0.82 LCK (0.52) LCKKDM4EMAPTTDP1MEN1
SCHEMBL30450130 0.82 LCK (0.42) LCKKMT2APIK3CGEPHX2
SCHEMBL25260578 0.81 LCK (0.50) LCKRAB9A
SCHEMBL31114561 0.81 LCK (0.50) LCKRAB9A

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