SCHEMBL3469812

SCHEMBL3469812

COc1cncc(-c2cnc3c(NCc4ccco4)nccn23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.47
KARS1 Q15046 1/20 0.47
FYN P06241 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
NPC1 O15118 4/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 4/20 0.46
HSD17B10 Q99714 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
EED O75530 3/20 0.46
PDE5A O76074 1/20 0.45
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 4/20 0.41
PIK3CG P48736 1/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
IDE P14735 1/20 0.40
CCNB2 O95067 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
SCHEMBL3469327 0.90 EED (0.48) ZAP70KARS1FYNKDM4EHPGD
SCHEMBL12409314 0.84 MAPK1 (0.50) ZAP70KARS1FYNKDM4EHPGD
SCHEMBL3467556 0.81 EED (0.51) KDM4EHPGDNPC1MAPTRAB9A
SCHEMBL3466394 0.81 EED (0.51) ZAP70KARS1EED
SCHEMBL3466960 0.80 EED (0.50) ZAP70KARS1FYNKDM4EHPGD
SCHEMBL3469470 0.79 EED (0.51) FYNKDM4EHPGDMAPTRAB9A
SCHEMBL3476687 0.79 EED (0.51) ZAP70KARS1FYNEEDPIK3CG
SCHEMBL3469253 0.78 EED (0.46) FYNKDM4EHPGDNPC1MAPT
SCHEMBL3470450 0.77 EED (0.48) ZAP70KARS1FYNKDM4EHPGD
SCHEMBL3466249 0.77 PTGDR (0.44) ZAP70KARS1FYNHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO claimed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO disclosed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO disclosed