SCHEMBL30108027

SCHEMBL30108027

[2H]c1ccc2c(c1)nnn2-c1cc(-c2cnc(C)s2)nc(N)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.33
ADORA2A P29274 1/20 0.32
MAPK14 Q16539 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3CD O00329 2/20 0.31
PIK3R1 P27986 2/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL30108065 0.92 TSHR (0.47) TSHRSMN1; SMN2RAB9AADORA2AMAPK14
SCHEMBL30107988 0.82 TSHR (0.33) TSHRSMN1; SMN2ADORA2AMAPK14KDM4E
SCHEMBL30108003 0.81 MET (0.40) ALDH1A1
SCHEMBL30107965 0.69 MET (0.40) TSHRSMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL30108012 0.65 TSHR (0.58) TSHRSMN1; SMN2RAB9AADORA2AKDM4E
SCHEMBL30108032 0.62 KDM4E (0.47) TSHRSMN1; SMN2RAB9AADORA2AKDM4E
SCHEMBL13629651 0.59 ASIC3 (0.48) ADORA2AKDM4EALDH1A1KMT2APIK3CD
SCHEMBL30108001 0.59 KDM4E (0.33) TSHRSMN1; SMN2KDM4EKMT2APIK3CA
SCHEMBL28563917 0.57 RAB9A (0.58) TSHRSMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL29544252 0.57 RAB9A (0.58) TSHRSMN1; SMN2RAB9AKDM4EALDH1A1

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-2022203399-A1 ADENOSINE A2A RECEPTOR ANTAGONIST AND USE THEREOF 주식회사 스탠다임 2022-09-29 WO disclosed