SCHEMBL3948256

SCHEMBL3948256

CCCCSc1nc(N)c(N=O)c(N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39

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
SCHEMBL3888529 0.95 KDM4E (0.50) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL13946390 0.87 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL3950023 0.80 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL28387240 0.75 CDK2 (0.33)
SCHEMBL29241996 0.74 USP2 (0.54) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL3879885 0.74 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL11799528 0.74 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL9161631 0.74 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL5456964 0.71 CDK2 (0.42) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL3945346 0.71 RAB9A (0.49) SMN1; SMN2NPC1RAB9AKDM4EMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO disclosed
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO disclosed
WO-2009022185-A2 6, 6-FUSED HETEROCYCLES, THEIR PHARMACEUTICAL COMPOSITIONS AND METHOS OF USE ASTRAZENECA AB (SE) 2009-02-19 WO disclosed
WO-2009022185-A2 6, 6-FUSED HETEROCYCLES, THEIR PHARMACEUTICAL COMPOSITIONS AND METHOS OF USE ASTRAZENECA AB (SE) 2009-02-19 WO disclosed