SCHEMBL1868403

SCHEMBL1868403

CCCn1c(NCCO)nc(=O)c2c1N=C(C1CCCC1)[N]2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.35
ADORA1 P30542 6/20 0.35
ADORA2A P29274 5/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
GMNN O75496 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TSHR P16473 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
HTT P42858 1/20 0.32

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
SCHEMBL1887812 0.80 ADORA2B (0.39) ADORA2BADORA1ADORA2ALMNAMEN1
SCHEMBL1869565 0.79 ADORA2A (0.40) ADORA2BADORA1ADORA2ALMNAMEN1
SCHEMBL1871541 0.79 HTT (0.44) ADORA1LMNATSHRKMT2AHTT
SCHEMBL1865499 0.79 ADORA1 (0.36) ADORA2BADORA1ADORA2ALMNAMEN1
SCHEMBL1868348 0.78 ADORA1 (0.58) ADORA2BADORA1ADORA2A
SCHEMBL1867403 0.77 ADORA1 (0.44) ADORA2BADORA1
SCHEMBL1871663 0.77 TP53 (0.45) ADORA1LMNAMEN1TSHRKMT2A
SCHEMBL1872803 0.77 ADORA1 (0.59) ADORA1ADORA3
SCHEMBL1867769 0.75 MAOA (0.38) ADORA2BADORA1ADORA2ALMNAMEN1
SCHEMBL1867981 0.74 ADORA1 (0.58) ADORA1

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-2499142-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF Advinus Therapeutics Limited (IN) 2012-09-19 EP claimed
WO-2011055391-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-05-12 WO claimed