SCHEMBL5263701

SCHEMBL5263701

CC(C)(C)Nc1c(-c2ccc(C#Cc3ncccc3F)s2)nc2ccccn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.47
MAPT P10636 4/20 0.42
PKM P14618 2/20 0.42
PKLR P30613 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TOP2A P11388 1/20 0.42
TRIM24 O15164 1/20 0.41
SALL4 Q9UJQ4 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
GAA P10253 4/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
TP53 P04637 1/20 0.40
HDAC4 P56524 1/20 0.40
BACE1 P56817 5/20 0.40
BACE2 Q9Y5Z0 5/20 0.40
BRD4 O60885 1/20 0.39
HDAC3 O15379 1/20 0.38
NCOR2 Q9Y618 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
Hydrochloric Acid SCHEMBL5118053 0.99 ADRA1B (0.47) ADRA1BMAPTPKMPKLRSMN1; SMN2
SCHEMBL5113469 0.90 ADRA1B (0.48) ADRA1BMAPTPKMPKLRSMN1; SMN2
SCHEMBL5121962 0.89 SALL4 (0.44) ADRA1BMAPTSALL4GAAHDAC5
SCHEMBL5127515 0.89 ADRA1B (0.47) ADRA1BMAPTPKMPKLRSMN1; SMN2
Hydrochloric Acid SCHEMBL5116490 0.89 ADRA1B (0.47) ADRA1BMAPTPKMPKLRSMN1; SMN2
Hydrochloric Acid SCHEMBL5114452 0.88 SALL4 (0.43) ADRA1BMAPTSALL4GAAHDAC5
SCHEMBL5123018 0.87 ADRA1B (0.46) ADRA1BMAPTPKMPKLRSMN1; SMN2
SCHEMBL5263543 0.86 ADRA1B (0.53) ADRA1BMAPTPKMPKLRSMN1; SMN2
Hydrochloric Acid SCHEMBL5129005 0.85 ADRA1B (0.52) ADRA1BMAPTPKMPKLRSMN1; SMN2
SCHEMBL5118071 0.85 ADRA1B (0.51) ADRA1BMAPTPKMPKLRSMN1; SMN2

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
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP claimed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 WO claimed
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP disclosed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 WO disclosed