SCHEMBL7659027

SCHEMBL7659027

CCn1cnc2c1c(=O)n(CC)c1nc(Cc3ccccc3)nn21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
BRD4 O60885 1/20 0.46
CNOT7 Q9UIV1 1/20 0.46
POLB P06746 2/20 0.42
HIF1A Q16665 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ADORA2B P29275 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL10815559 0.76 KMT2A (0.75) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL7665105 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL7659412 0.72 ADORA2B (0.45) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL7670431 0.70 ADORA2B (0.54) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL7666660 0.70 ADORA2B (0.54) KMT2APOLBADORA2B
SCHEMBL555093 0.69 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL8560750 0.69 PDE4A (0.52) HSD17B10ADORA2B
SCHEMBL8559651 0.69 ADORA2B (0.61) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL7668670 0.68 ADORA2B (0.51) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL8562832 0.68 ADORA2B (0.43) ALDH1A1KDM4EHSD17B10TSHRMAPK1

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-6492377-B1 Imidazotriazolopyrimidines with adenosine-antagonistic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed