SCHEMBL14228146

SCHEMBL14228146

NNc1nc2[nH]ccc2c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.64
▸ GAA P10253 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TYMP P19971 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ SPR P35270 2/20 0.37
▸ IKBKB O14920 1/20 0.35
▸ CHUK O15111 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ RECQL P46063 1/20 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
SCHEMBL311783 0.78 DYRK1A (1.00) DYRK1ATYMPGSK3BBACE1ADORA2A
Hydrochloric Acid SCHEMBL25394322 0.76 DYRK1A (0.96) DYRK1ATYMPGSK3BBACE1ADORA2A
SCHEMBL28309711 0.74 DYRK1A (0.62) DYRK1ATYMPGSK3BBACE1ADORA2A
SCHEMBL15693107 0.74 DYRK1A (0.62) DYRK1ATYMPGSK3BBACE1ADORA2A
SCHEMBL7851729 0.74 DYRK1A (0.62) DYRK1AGAANPC1TYMPGSK3B
SCHEMBL7014736 0.74 DYRK1A (0.62) DYRK1ATYMPGSK3BBACE1ADORA2A
SCHEMBL311846 0.73 ALDH1A1 (0.49) DYRK1ANPC1ADORA2AADORA1SPR
SCHEMBL7164003 0.72 DYRK1A (0.60) DYRK1ATYMPGSK3BBACE1ADORA2A
SCHEMBL3821179 0.71 KDM4E (0.64) GAANPC1KDM4EALDH1A1MEN1
SCHEMBL29909366 0.71 KDM4E (0.64) GAANPC1KDM4EALDH1A1MEN1

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
EP-1905778-A2 Novel 2'-C-methyl nucleoside derivatives Metabasis Therapeutics, Inc. (US) 2008-04-02 — — EP disclosed
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