SCHEMBL7948438

SCHEMBL7948438

NCC1CCN(c2cc(N)cc(-c3ccnc(NC4CCCCC4)c3)n2)CC1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 19/20 0.75
PRKD2 Q9BZL6 13/20 0.75
ADRB1 P08588 1/20 0.55
CCNT1 O60563 1/20 0.49

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
SCHEMBL12701708 0.86 PRKD1 (0.76) PRKD1PRKD2ADRB1
SCHEMBL1592989 0.85 PRKD1 (1.00) PRKD1PRKD2ADRB1
SCHEMBL7957965 0.85 PRKD1 (0.74) PRKD1PRKD2ADRB1
Trifluoroacetic Acid SCHEMBL1592162 0.79 PRKD1 (0.67) PRKD1PRKD2ADRB1
SCHEMBL1424237 0.79 PRKD1 (1.00) PRKD1PRKD2ADRB1
SCHEMBL7946234 0.78 PRKD1 (0.60) PRKD1PRKD2ADRB1
SCHEMBL1592068 0.77 PRKD1 (0.71) PRKD1PRKD2ADRB1
SCHEMBL1579225 0.75 PRKD1 (0.81) PRKD1PRKD2ADRB1
SCHEMBL1579521 0.75 PRKD1 (0.62) PRKD1PRKD2ADRB1
SCHEMBL7960000 0.75 PRKD1 (0.67) 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