SCHEMBL1872803

SCHEMBL1872803

CCCn1c(NCc2cccc(Cl)c2)nc(=O)c2c1N=C(C1CCCC1)[N]2

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.59
CCNT1 O60563 3/20 0.39
CDK9 P50750 3/20 0.39
PDE9A O76083 3/20 0.39
P2RX7 Q99572 2/20 0.37
ADORA3 P0DMS8 3/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CCR2 P41597 1/20 0.36
CCR5 P51681 1/20 0.36
TYRO3 Q06418 1/20 0.35

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
SCHEMBL1868348 0.82 ADORA1 (0.58) ADORA1PDE9AP2RX7GAAMAPT
SCHEMBL1871541 0.81 HTT (0.44) ADORA1GAA
SCHEMBL1871663 0.79 TP53 (0.45) ADORA1PDE9AP2RX7GAAMAPT
SCHEMBL1887812 0.77 ADORA2B (0.39) ADORA1ADORA3
SCHEMBL1867981 0.76 ADORA1 (0.58) ADORA1CCR2
SCHEMBL1865499 0.75 ADORA1 (0.36) ADORA1ADORA3GAAMAPT
SCHEMBL6921450 0.74 ADORA1 (1.00) ADORA1ADORA3
SCHEMBL1867846 0.74 ADORA1 (0.41) ADORA1ADORA3
SCHEMBL1870248 0.73 ADORA3 (0.39) ADORA1ADORA3
SCHEMBL1870359 0.71 ADORA1 (0.44) ADORA1ADORA3

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