SCHEMBL5263546

SCHEMBL5263546

C[C@@H]1CNC(=O)C(N(C)c2ccnc(NC3CCN(C(=O)OC(C)(C)C)CC3)n2)=C1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 5/20 0.44
▸ PRMT5 O14744 1/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ BTK Q06187 2/20 0.38
▸ IDH1 O75874 1/20 0.38
▸ IDH2 P48735 1/20 0.38
▸ JUN P05412 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL5341690 0.80 USP30 (0.48) USP30PRMT5MAPK14ADORA2AALDH1A1
SCHEMBL5914088 0.78 USP30 (0.46) USP30PRMT5MAPK14ADORA2AALDH1A1
SCHEMBL5913836 0.77 ALDH1A1 (0.48) USP30MAPK14ADORA2AALDH1A1IDH1
SCHEMBL5948116 0.76 USP30 (0.44) USP30PRMT5MAPK14ADORA2AHPGDS
SCHEMBL6420529 0.76 USP30 (0.45) USP30PRMT5MAPK14ADORA2AALDH1A1
SCHEMBL3775260 0.73 USP30 (0.67) USP30ALDH1A1HPGDSCKS1BSKP1
SCHEMBL5913810 0.72 MAPK8 (0.48) USP30MAPK14ALDH1A1CKS1BSKP1
SCHEMBL14190733 0.72 ALDH1A1 (0.55) USP30ADORA2AALDH1A1IDH1IDH2
SCHEMBL12367077 0.72 ALDH1A1 (0.55) USP30ADORA2AALDH1A1BTKIDH1
SCHEMBL3650816 0.72 HDAC8 (0.52) USP30PRMT5ADORA2AALDH1A1IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 — — EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 — — WO disclosed
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