SCHEMBL1867403

SCHEMBL1867403

CCCn1c(Nc2ccc(F)cc2)nc(=O)c2c1N=C(C1CCCC1)[N]2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.44
P2RX3 P56373 8/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ADORA2B P29275 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
SCHEMBL1867981 0.89 ADORA1 (0.58) ADORA1P2RX3
SCHEMBL1865499 0.82 ADORA1 (0.36) ADORA1MAPTADORA2B
SCHEMBL1871164 0.80 ADORA1 (0.45) ADORA1ADORA2B
SCHEMBL1868403 0.77 ADORA2B (0.35) ADORA1ADORA2B
SCHEMBL1887812 0.77 ADORA2B (0.39) ADORA1ADORA2B
SCHEMBL1868348 0.77 ADORA1 (0.58) ADORA1MAPTADORA2B
SCHEMBL1866236 0.77 ADORA1 (0.41) ADORA1MAPTALDH1A1ADORA2B
SCHEMBL1869565 0.76 ADORA2A (0.40) ADORA1ADORA2B
SCHEMBL1871541 0.76 HTT (0.44) ADORA1KDM4EALDH1A1
SCHEMBL1871663 0.76 TP53 (0.45) ADORA1MAPTKDM4EALDH1A1

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 4 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
EP-2499142-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF Advinus Therapeutics Limited (IN) 2012-09-19 EP disclosed
WO-2011055391-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-05-12 WO disclosed