SCHEMBL2801525

SCHEMBL2801525

CC1CCc2oc3c(N4CCN(C)CC4)ncnc3c2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
HRH4 Q9H3N8 6/20 0.50
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.43
NOD2 Q9HC29 1/20 0.43
TSHR P16473 5/20 0.41
HSD17B10 Q99714 3/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HCRTR1 O43613 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
ABCC1 P33527 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL601964 0.81 KMT2A (0.57) KMT2AMEN1HRH4POLBTSHR
SCHEMBL603652 0.81 HRH4 (0.48) KMT2AMEN1HRH4HRH1
SCHEMBL2803130 0.70 KMT2A (0.42) KMT2AMEN1HRH4POLBTSHR
SCHEMBL602294 0.68 HRH4 (0.45) HRH4HRH1
SCHEMBL603808 0.68 HRH4 (0.50) HRH4HRH1
SCHEMBL602734 0.67 HRH4 (0.49) HRH4HRH1
SCHEMBL606545 0.67 HRH4 (1.00) KMT2AMEN1HRH4TSHRHSD17B10
SCHEMBL9883835 0.67 HRH4 (0.36) HRH4
SCHEMBL9884169 0.67 HRH4 (0.36) HRH4
Hydrochloric Acid SCHEMBL4126307 0.67 HRH4 (0.49) HRH4HRH1

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