SCHEMBL16638699

SCHEMBL16638699

Cc1cnn(-c2nc(NCC3CCCCC3)c3cc(-c4ccccc4)ccc3n2)c1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 15/20 0.77
TRIM58 Q8NG06 2/20 0.50
HTR3A P46098 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
PDE5A O76074 2/20 0.46

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
SCHEMBL621862 0.87 EGLN1 (1.00) EGLN1
SCHEMBL16638696 0.86 EGLN1 (0.75) EGLN1TRIM58HTR3AHRH4
SCHEMBL627593 0.83 EGLN1 (0.69) EGLN1TRIM58HTR3AHRH4PDE5A
SCHEMBL10230034 0.74 EGLN1 (1.00) EGLN1
SCHEMBL628311 0.71 EGLN1 (1.00) EGLN1
SCHEMBL14992463 0.70 EGLN1 (1.00) EGLN1
SCHEMBL10229000 0.70 EGLN1 (1.00) EGLN1
SCHEMBL621250 0.69 EGLN1 (1.00) EGLN1
SCHEMBL3974310 0.68 GBA1 (0.51) EGLN1TRIM58HTR3AHRH4PDE5A
SCHEMBL3644981 0.67 KDM4E (0.69) HTR3AHRH4PDE5A

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
US-9006251-B2 4-aminoquinazolin-2-yl-1-pyrrazole-4-carboxylic acid compounds as prolyl hydroxylase inhibitors JANSSEN PHARAMCEUTICA NV (BE) 2015-04-14 US disclosed