SCHEMBL5264191

SCHEMBL5264191

CC(C)(C)Nc1c(-c2ccc(C#Cc3ccccc3N)s2)nc2cnccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SALL4 Q9UJQ4 1/20 0.47
BRD4 O60885 5/20 0.42
TAF1 P21675 1/20 0.42
TAF1L Q8IZX4 1/20 0.42
ADRA1B P35368 1/20 0.38
GAA P10253 7/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GFER P55789 3/20 0.38
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BRAF P15056 2/20 0.35
HDAC4 P56524 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CDK9 P50750 1/20 0.34

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 SCHEMBL5126991 0.99 SALL4 (0.46) SALL4BRD4TAF1TAF1LADRA1B
SCHEMBL5117561 0.90 SALL4 (0.48) SALL4BRD4TAF1TAF1LADRA1B
Hydrochloric Acid SCHEMBL5117380 0.89 SALL4 (0.47) SALL4BRD4TAF1TAF1LADRA1B
SCHEMBL5123390 0.89 SALL4 (0.54) SALL4BRD4TAF1TAF1LADRA1B
SCHEMBL5268004 0.89 SALL4 (0.47) SALL4BRD4TAF1TAF1LADRA1B
Hydrochloric Acid SCHEMBL5123940 0.88 BRD4 (0.46) SALL4BRD4TAF1TAF1LADRA1B
Hydrochloric Acid SCHEMBL5128078 0.88 SALL4 (0.46) SALL4BRD4TAF1TAF1LADRA1B
SCHEMBL5127402 0.87 SALL4 (0.50) SALL4BRD4TAF1TAF1LADRA1B
SCHEMBL5122778 0.85 SALL4 (0.45) SALL4BRD4TAF1TAF1LADRA1B
SCHEMBL5124160 0.85 SALL4 (0.44) SALL4BRD4TAF1TAF1LADRA1B

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