SCHEMBL5264411

SCHEMBL5264411

Cc1ccc(C#Cc2ccc(-c3nc4cnccn4c3NC(C)(C)C)s2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.48
TAF1 P21675 1/20 0.48
TAF1L Q8IZX4 1/20 0.48
SALL4 Q9UJQ4 1/20 0.47
GAA P10253 8/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
GFER P55789 2/20 0.41
MAPT P10636 6/20 0.40
TP53 P04637 2/20 0.40
PKM P14618 2/20 0.40
PKLR P30613 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1B P35368 1/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 3/20 0.36

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 SCHEMBL5113755 0.99 BRD4 (0.48) BRD4TAF1TAF1LSALL4GAA
SCHEMBL5129108 0.89 BRD4 (0.46) BRD4TAF1TAF1LSALL4GAA
SCHEMBL5118638 0.89 SALL4 (0.46) BRD4TAF1TAF1LSALL4GAA
SCHEMBL5123322 0.88 SALL4 (0.46) BRD4TAF1TAF1LSALL4GAA
Hydrochloric Acid SCHEMBL5123040 0.88 SALL4 (0.46) BRD4TAF1TAF1LSALL4GAA
SCHEMBL5127402 0.88 SALL4 (0.50) BRD4TAF1TAF1LSALL4GAA
SCHEMBL5263148 0.88 SALL4 (0.48) BRD4TAF1TAF1LSALL4GAA
SCHEMBL5128134 0.88 BRD4 (0.48) BRD4TAF1TAF1LSALL4GAA
SCHEMBL5117561 0.87 SALL4 (0.48) BRD4TAF1TAF1LSALL4GAA
SCHEMBL5121895 0.87 SALL4 (0.46) BRD4TAF1TAF1LSALL4GAA

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-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