SCHEMBL1868993

SCHEMBL1868993

CCCn1c(Cl)nc(=O)c2c1N=C(C1CC3CCC1C3)[N]2

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.31
ADORA1 P30542 1/20 0.31

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 0.81 ADORA2B (0.39) ADORA2AADORA1
SCHEMBL1869565 0.80 ADORA2A (0.40) ADORA2AADORA1
SCHEMBL1883341 0.67 ADORA1 (0.46) ADORA2AADORA1
SCHEMBL1867015 0.65 ADORA1 (0.47) ADORA2AADORA1
SCHEMBL1867769 0.64 MAOA (0.38) ADORA2AADORA1
SCHEMBL1868403 0.64 ADORA2B (0.35) ADORA2AADORA1
SCHEMBL1875998 0.63 ADORA1 (0.38) ADORA2AADORA1
SCHEMBL1865499 0.62 ADORA1 (0.36) ADORA2AADORA1
SCHEMBL1867846 0.62 ADORA1 (0.41) ADORA2AADORA1
SCHEMBL1869359 0.62 CYP2C9 (0.34) ADORA2AADORA1

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 disclosed
WO-2011055391-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-05-12 WO disclosed