SCHEMBL1868348

SCHEMBL1868348

CCCn1c(NCc2ccc(C(F)(F)F)cc2)nc(=O)c2c1N=C(C1CCCC1)[N]2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.58
PDE9A O76083 3/20 0.39
P2RX7 Q99572 1/20 0.37
TP53 P04637 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
MDM2 Q00987 1/20 0.36
HRH4 Q9H3N8 1/20 0.34
ADRA2A P08913 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
CRHR1 P34998 1/20 0.33

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
SCHEMBL1871541 0.82 HTT (0.44) ADORA1GAAPOLB
SCHEMBL1872803 0.82 ADORA1 (0.59) ADORA1PDE9AP2RX7GAAMAPT
SCHEMBL1871663 0.78 TP53 (0.45) ADORA1PDE9AP2RX7TP53GAA
SCHEMBL1865267 0.76 ADORA1 (0.44) ADORA1ADORA2AADORA2B
SCHEMBL1887812 0.74 ADORA2B (0.39) ADORA1ADORA2AADORA2B
SCHEMBL12079015 0.73 ADORA1 (1.00) ADORA1ADORA2AADORA2B
SCHEMBL1871730 0.72 ADORA1 (0.40) ADORA1ADORA2AADORA2B
SCHEMBL1868311 0.72 ADORA1 (0.34) ADORA1ADORA2AADORA2B
SCHEMBL1870248 0.70 ADORA3 (0.39) ADORA1ADORA2AADORA2B
SCHEMBL1871164 0.70 ADORA1 (0.45) ADORA1TP53ADORA2AADORA2B

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