SCHEMBL18536772

SCHEMBL18536772

N=NC(=N)CCCOC(=O)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.61

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
SCHEMBL18536759 0.89 ENPP2 (0.61) ENPP2
SCHEMBL15874814 0.88 ENPP2 (0.68) ENPP2
SCHEMBL18536731 0.87 ENPP2 (0.69) ENPP2
SCHEMBL18536757 0.86 ENPP2 (0.57) ENPP2
SCHEMBL15875628 0.85 ENPP2 (0.64) ENPP2
SCHEMBL15875675 0.85 ENPP2 (0.64) ENPP2
SCHEMBL15883207 0.83 ENPP2 (0.78) ENPP2
SCHEMBL15883226 0.83 ENPP2 (0.78) ENPP2
SCHEMBL15875497 0.82 ENPP2 (0.60) ENPP2
SCHEMBL15875665 0.81 ENPP2 (0.62) ENPP2

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
EP-2943494-B1 PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN LILLY CO ELI (US) 2017-02-22 EP disclosed