SCHEMBL1866236

SCHEMBL1866236

CCCn1c(Oc2ccccc2F)nc(=O)c2c1N=C(C1CCCC1)[N]2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
MAPT P10636 2/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
ADORA3 P0DMS8 2/20 0.36
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL1871164 0.86 ADORA1 (0.45) ADORA1ADORA2AADORA2BNCOA3ADORA3
SCHEMBL1868690 0.86 ADORA1 (0.57) ADORA1ADORA2AADORA2BADORA3
SCHEMBL1875802 0.86 ADORA1 (0.44) ADORA1ADORA2AADORA2BADORA3ALDH1A1
SCHEMBL1868269 0.85 ADORA1 (0.59) ADORA1ADORA2AADORA2BADORA3
SCHEMBL1874917 0.84 ADORA1 (0.57) ADORA1ADORA2AADORA2BADORA3
SCHEMBL1871420 0.83 ADORA1 (0.41) ADORA1ADORA2AADORA2BADORA3TSHR
SCHEMBL1867846 0.82 ADORA1 (0.41) ADORA1ADORA2AADORA2BADORA3
SCHEMBL1861450 0.82 ADORA1 (0.49) ADORA1ADORA2AADORA2BADORA3
SCHEMBL1869240 0.82 ADORA1 (0.38) ADORA1ADORA2AADORA2BADORA3
SCHEMBL1870248 0.82 ADORA3 (0.39) ADORA1ADORA2AADORA2BADORA3KMT2A

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