SCHEMBL7430405

SCHEMBL7430405

NC(=O)c1ccc(CNC2=NCCN2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 1/20 0.56
PTGIR P43119 1/20 0.54
WDR5 P61964 17/20 0.51
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48

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
SCHEMBL10054979 0.84 PTGIR (0.69) MLLT1PTGIRWDR5ADRA2AADRA2B
SCHEMBL27274388 0.82 MLLT1 (0.53) MLLT1PTGIRWDR5ADRA2AADRA2B
SCHEMBL4035161 0.80 PTGIR (0.61) MLLT1PTGIRWDR5ADRA2AADRA2B
SCHEMBL7855988 0.79 PTGIR (0.50) MLLT1PTGIRWDR5
SCHEMBL7855984 0.79 PTGIR (0.50) MLLT1PTGIRWDR5
SCHEMBL4032956 0.79 PTGIR (0.62) MLLT1PTGIRWDR5ADRA2AADRA2B
SCHEMBL27275424 0.78 ADRA2A (0.77) PTGIRADRA2AADRA2BADRA2C
SCHEMBL10800812 0.77 PTGIR (0.83) MLLT1PTGIRWDR5ADRA2AADRA2B
SCHEMBL26703926 0.77 PTGIR (0.61) MLLT1PTGIRWDR5ADRA2AADRA2B
SCHEMBL17186490 0.77 PTGIR (0.61) MLLT1PTGIRWDR5ADRA2AADRA2B

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-1259485-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-11-27 EP disclosed
WO-2001064643-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed