SCHEMBL20104525

SCHEMBL20104525

Cn1cnc2c1N=CN1CCN=C21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
NSD3 Q9BZ95 1/20 0.30

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
SCHEMBL31038783 0.61 KDM4E (0.32) KDM4E
SCHEMBL9265360 0.55 HDAC8 (0.43) KDM4E
SCHEMBL30990996 0.54 MAPT (0.38) KDM4E
SCHEMBL14085132 0.51 TOP2A (0.44)
SCHEMBL2606658 0.50 KDM4E (0.51) KDM4E
SCHEMBL20125021 0.48 KDM4E (0.36) KDM4E
SCHEMBL14309129 0.47 HDAC8 (0.30)
SCHEMBL11540971 0.47 KDM4E (0.53) KDM4E
SCHEMBL27738467 0.46 ADRA2A (0.32)
SCHEMBL16041282 0.45

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180119227-A1 NOVEL RISK BIOMARKERS FOR LUNG CANCER YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-05-03 US disclosed