SCHEMBL2802211

SCHEMBL2802211

CC(C)(CN1CC[C@@H](N)C1)c1nc(N)nc2c3c(sc12)CCCC3

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.32
KMT2A Q03164 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL602641 0.74 HRH3 (0.51) ADRB1HRH3HRH4
SCHEMBL9883827 0.74 HRH3 (0.51) ADRB1HRH3HRH4
SCHEMBL2569183 0.71 BPTF (0.36) ADRB1
SCHEMBL605194 0.70 HRH3 (0.45) ADRB1HRH3HRH4
SCHEMBL601894 0.68 ADRB1 (0.44) ADRB1HRH3HRH4
Trifluoroacetic Acid SCHEMBL9104338 0.68 HRH3 (0.43) ADRB1HRH3HRH4
SCHEMBL9883822 0.67 ADRB1 (0.37) ADRB1HRH4
SCHEMBL9883821 0.67 ADRB1 (0.37) ADRB1HRH4
SCHEMBL604915 0.65 ADRB1 (0.49) ADRB1KMT2AHRH4
SCHEMBL604445 0.65 PRKCI (0.45) ADRB1HRH3HRH4

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-2200595-A2 THIENO-AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2010-06-30 EP claimed
WO-2009038673-A2 THIENO-AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-26 WO claimed