SCHEMBL27883263

SCHEMBL27883263

N#Cc1cc(I)c(N)cc1C1CNCCO1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.50
PRKACG P22612 1/20 0.50
PRKACB P22694 1/20 0.50
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL27866910 0.78 PRKACA (0.52) PRKACAPRKACGPRKACBDRD2DRD3
SCHEMBL6695037 0.78 PRKACA (0.55) PRKACAPRKACGPRKACBDRD2DRD3
SCHEMBL11632150 0.73 PRKACA (0.55) PRKACAPRKACGPRKACBDRD2DRD3
SCHEMBL15413831 0.72 PRKACA (0.46) PRKACAPRKACGPRKACB
SCHEMBL138439 0.72 PRKACA (0.50) PRKACAPRKACGPRKACBDRD2DRD3
Hydrochloric Acid SCHEMBL12804515 0.71 PRKACA (0.49) PRKACAPRKACGPRKACBDRD2DRD3
SCHEMBL28969630 0.71 DRD2 (0.52) PRKACAPRKACGPRKACBDRD2DRD3
SCHEMBL11632146 0.70 PRKACA (0.52) PRKACAPRKACGPRKACBDRD2DRD3
SCHEMBL28570762 0.70 HTR1A (0.41) PRKACAPRKACGPRKACBDRD2DRD3
SCHEMBL7963983 0.69 DRD2 (0.46) PRKACAPRKACGPRKACBDRD2DRD3

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
CN-102625799-A Heterocyclic compounds and their uses AMGEN INC 2012-08-01 CN disclosed