SCHEMBL14999987

SCHEMBL14999987

N#CCCN1CCC(n2c(CCN)nc3cnc4[nH]ccc4c32)CC1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.83
JAK2 O60674 1/20 0.74

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
SCHEMBL14999879 0.93 JAK1 (0.80) JAK1JAK2
SCHEMBL2273875 0.91 JAK1 (1.00) JAK1JAK2
SCHEMBL2292014 0.90 JAK1 (0.82) JAK1JAK2
SCHEMBL2295826 0.90 JAK1 (0.81) JAK1JAK2
SCHEMBL2297848 0.89 JAK1 (0.80) JAK1JAK2
SCHEMBL12385273 0.89 JAK1 (0.76) JAK1JAK2
SCHEMBL2296914 0.88 JAK1 (0.93) JAK1JAK2
SCHEMBL2290865 0.87 JAK1 (1.00) JAK1JAK2
SCHEMBL2277642 0.86 JAK1 (1.00) JAK1JAK2
SCHEMBL2297480 0.86 JAK1 (0.79) JAK1JAK2

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed