SCHEMBL18500491

SCHEMBL18500491

Nc1ccc(Nc2ncc(F)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cn1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.69
JAK3 P52333 20/20 0.69
JAK2 O60674 10/20 0.60
CYP3A4 P08684 7/20 0.60
CYP1A2 P05177 2/20 0.56
TYK2 P29597 1/20 0.56
SYK P43405 1/20 0.54

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
SCHEMBL10196372 0.88 JAK1 (0.67) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL10176790 0.86 JAK1 (0.69) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL24021291 0.85 JAK1 (0.66) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL524768 0.85 JAK1 (0.72) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL524815 0.84 JAK1 (0.77) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL15389661 0.83 JAK1 (0.66) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL15389492 0.83 JAK1 (0.70) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL15389446 0.83 JAK1 (0.66) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL10176787 0.83 JAK1 (0.74) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL340351 0.83 JAK1 (0.79) JAK1JAK3JAK2CYP3A4CYP1A2

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-9566283-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed