SCHEMBL25046600

SCHEMBL25046600

CCC(=O)NCCNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 3/20 0.62
▸ ADORA3 P0DMS8 3/20 0.61
▸ ADORA2A P29274 3/20 0.61
▸ ADORA2B P29275 3/20 0.61
▸ ADORA1 P30542 3/20 0.61
▸ HSP90AA1 P07900 2/20 0.61
▸ HSP90B1 P14625 2/20 0.61
▸ PRMT5 O14744 2/20 0.61
▸ WDR77 Q9BQA1 1/20 0.61
▸ PRMT7 Q9NVM4 1/20 0.61
▸ MAPK1 P28482 3/20 0.60
▸ TSHR P16473 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ DPP4 P27487 1/20 0.60
▸ SLC28A1 O00337 1/20 0.60
▸ MAP3K7 O43318 1/20 0.60
▸ SLC28A2 O43868 1/20 0.60
▸ GAPDH P04406 1/20 0.60
▸ STAT6 P42226 1/20 0.60

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
SCHEMBL31618014 1.00 DOT1L (0.62) DOT1LADORA3ADORA2AADORA2BADORA1
SCHEMBL31617792 0.95 DOT1L (0.69) DOT1LADORA3ADORA2AADORA2BADORA1
SCHEMBL25047821 0.95 DOT1L (0.69) DOT1LADORA3ADORA2AADORA2BADORA1
SCHEMBL15395392 0.87 EHMT1 (0.70) DOT1LADORA3ADORA2AADORA2BADORA1
SCHEMBL15984531 0.87 EHMT1 (0.70) DOT1LADORA3ADORA2AADORA2BADORA1
SCHEMBL20097062 0.87 EHMT1 (0.70) DOT1LADORA3ADORA2AADORA2BADORA1
SCHEMBL17568775 0.87 EHMT1 (0.70) DOT1LADORA3ADORA2AADORA2BADORA1
SCHEMBL952831 0.86 DOT1L (0.67) DOT1LADORA3ADORA2AADORA2BADORA1
SCHEMBL952828 0.86 DOT1L (0.67) DOT1LADORA3ADORA2AADORA2BADORA1
SCHEMBL28374784 0.85 EHMT1 (0.74) DOT1LADORA3ADORA2AADORA2BADORA1

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-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
Send feedback