SCHEMBL2803731

SCHEMBL2803731

NCCN1CCN(c2ncnc3c4c(sc23)CCCC4)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
PRKCZ Q05513 1/20 0.48
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ABL1 P00519 1/20 0.46
POLB P06746 1/20 0.46
RIN1 Q13671 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
HTT P42858 2/20 0.42
DRD2 P14416 1/20 0.41
RBP4 P02753 1/20 0.39

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
SCHEMBL604523 0.84 HRH4 (0.54) KMT2AMEN1PRKCZKDM4EALDH1A1
SCHEMBL602336 0.81 PRKCZ (0.51) KMT2AMEN1PRKCZHRH4ADRB1
SCHEMBL605467 0.79 DRD2 (0.64) KMT2AMEN1PRKCZKDM4EALDH1A1
SCHEMBL10343427 0.79 MEN1 (0.75) KMT2AMEN1PRKCZKDM4EALDH1A1
SCHEMBL2804898 0.78 HTT (0.43) KMT2AMEN1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL10325646 0.78 MEN1 (0.73) KMT2AMEN1PRKCZKDM4EALDH1A1
SCHEMBL15387694 0.75 AKT1 (0.44) PRKCZKDM4EALDH1A1LMNATSHR
Trifluoroacetic Acid SCHEMBL9101425 0.73 PRKCZ (0.44) KMT2AMEN1PRKCZALDH1A1NPSR1
SCHEMBL4119266 0.71 KIT (0.47) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL9883819 0.70 HRH4 (0.47) PRKCZHRH4

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