SCHEMBL13812901

SCHEMBL13812901

CCNc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALCA P06881 4/20 0.57
KMT2A Q03164 1/20 0.49
RPS6KB1 P23443 1/20 0.48
EGLN1 Q9GZT9 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTNNB1 P35222 2/20 0.43
TCF7L2 Q9NQB0 2/20 0.43

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
SCHEMBL4064102 0.89 CALCA (0.58) CALCAKMT2ARPS6KB1EGLN1SMN1; SMN2
SCHEMBL6504246 0.85 CALCA (0.60) CALCAKMT2ARPS6KB1EGLN1SMN1; SMN2
SCHEMBL6490436 0.85 CALCA (0.62) CALCAKMT2ARPS6KB1EGLN1SMN1; SMN2
SCHEMBL4060740 0.84 CALCA (0.61) CALCAKMT2ARPS6KB1EGLN1SMN1; SMN2
SCHEMBL4066025 0.83 KMT2A (0.43) CALCAKMT2ARPS6KB1SMN1; SMN2CTNNB1
SCHEMBL4059851 0.83 CALCA (0.63) CALCAKMT2ARPS6KB1EGLN1
SCHEMBL7101920 0.83 CALCA (0.60) CALCAKMT2ARPS6KB1EGLN1SMN1; SMN2
SCHEMBL14447145 0.82 KMT2A (0.42) CALCAKMT2ARPS6KB1SMN1; SMN2CTNNB1
SCHEMBL4067905 0.82 KMT2A (0.61) CALCAKMT2ARPS6KB1EGLN1
SCHEMBL4067912 0.82 KMT2A (0.61) CALCAKMT2ARPS6KB1EGLN1

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
US-8796267-B2 Oxazolidinone derivatives and methods of use CONCERT PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
EP-1664046-B1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2009-06-17 EP disclosed