SCHEMBL4881501

SCHEMBL4881501

CCCCCCOc1nc(CCCc2ccccc2)cc(-c2ccc(NC3=NCCN3)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.40
ADRA2A P08913 10/20 0.40
ADRA2B P18089 9/20 0.40
ADRA2C P18825 9/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAD52 P43351 1/20 0.37
AOC3 Q16853 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
GPR65 Q8IYL9 1/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36

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
SCHEMBL4794147 0.91 PTGIR (0.40) PTGIRADRA2AADRA2BADRA2CAOC3
SCHEMBL4793947 0.86 ADRA2A (0.40) PTGIRADRA2AADRA2BADRA2CAOC3
SCHEMBL4795011 0.85 PTGIR (0.38) PTGIRADRA2AADRA2BADRA2CAOC3
SCHEMBL4795892 0.84 ADRA2A (0.41) PTGIRADRA2AADRA2BADRA2CAOC3
SCHEMBL4795965 0.84 ADRA2A (0.41) PTGIRADRA2AADRA2BADRA2CAOC3
SCHEMBL4878946 0.84 ADRA2A (0.39) PTGIRADRA2AADRA2BADRA2CAOC3
SCHEMBL4795959 0.82 ADRA2A (0.39) PTGIRADRA2AADRA2BADRA2CAOC3
SCHEMBL4792540 0.80 ADRA2A (0.43) PTGIRADRA2AADRA2BADRA2CAOC3
SCHEMBL4774672 0.78 NOS3 (0.43) MEN1KMT2A
SCHEMBL4792493 0.77 PTH1R (0.42) PTGIRADRA2AADRA2BADRA2CAOC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed