SCHEMBL7962573

SCHEMBL7962573

N=C(N)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 20/20 0.82
PRKD2 Q9BZL6 16/20 0.82
ADRB1 P08588 1/20 0.82

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
SCHEMBL31060943 0.90 PRKD1 (1.00) PRKD1PRKD2ADRB1
SCHEMBL7954518 0.90 PRKD1 (1.00) PRKD1PRKD2ADRB1
SCHEMBL1579626 0.89 PRKD1 (1.00) PRKD1PRKD2ADRB1
SCHEMBL1579784 0.87 PRKD1 (0.84) PRKD1PRKD2ADRB1
SCHEMBL1579167 0.86 PRKD1 (0.76) PRKD1PRKD2ADRB1
SCHEMBL7957965 0.85 PRKD1 (0.74) PRKD1PRKD2ADRB1
SCHEMBL1578879 0.85 PRKD1 (0.80) PRKD1PRKD2ADRB1
SCHEMBL1579203 0.84 PRKD1 (0.91) PRKD1PRKD2ADRB1
SCHEMBL1578895 0.83 PRKD1 (0.74) PRKD1PRKD2ADRB1
SCHEMBL1578866 0.82 PRKD1 (0.71) PRKD1PRKD2ADRB1

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-2009150230-A1 2,4'-BIPYRIDINYL COMPOUNDS AS PROTEIN KINASE D INHIBITORS USEFUL FOR THE TREATMENT OF IA HEART FAILURE AND CANCER NOVARTIS AG (CH) 2009-12-17 WO disclosed