SCHEMBL30108068

SCHEMBL30108068

CN1CCCC(Oc2ccc3c(c2)nnn3-c2cc(-c3ccco3)nc(N)n2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.35
SMARCA2 P51531 7/20 0.35
PBRM1 Q86U86 7/20 0.35
SMARCA4 P51532 6/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ADORA2A P29274 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDR P35968 2/20 0.34
INSR P06213 1/20 0.34
NR1I2 O75469 3/20 0.34
ADORA1 P30542 2/20 0.33

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
SCHEMBL30108046 0.90 KDM4E (0.39) SMARCA2PBRM1SMARCA4ADORA2AKDM4E
SCHEMBL30108071 0.83 KDM4E (0.39) SMARCA2PBRM1SMARCA4ADORA2AKDM4E
SCHEMBL30107970 0.82 AXL (0.41) AXLCHRM2CHRM4CHRM5CHRM1
SCHEMBL30107951 0.81 PTGS1 (0.46) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL30108006 0.78 CCNA2 (0.36) SMARCA2PBRM1SMARCA4ADORA2AKDM4E
SCHEMBL30108028 0.77 KDM4E (0.43) SMARCA2PBRM1ADORA2AKDM4EALDH1A1
SCHEMBL30108077 0.77 SLC6A2 (0.40) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL30107980 0.74 ROCK1 (0.45) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL30107959 0.74 KDM4E (0.44) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL30108012 0.73 TSHR (0.58) SMARCA2PBRM1ADORA2AKDM4EALDH1A1

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