SCHEMBL12875469

SCHEMBL12875469

Cc1cccc(Nc2c(C(N)=O)cnn3cccc23)c1CCN

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.51
JAK3 P52333 19/20 0.51
JAK2 O60674 18/20 0.51
TYK2 P29597 18/20 0.51
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL9920226 0.90 JAK1 (0.48) JAK1JAK3JAK2TYK2NPC1
SCHEMBL12875466 0.88 JAK3 (0.50) JAK1JAK3JAK2TYK2
SCHEMBL9920282 0.86 JAK2 (0.58) JAK1JAK3JAK2TYK2NPC1
SCHEMBL9920212 0.80 JAK3 (0.47) JAK1JAK3JAK2TYK2
SCHEMBL1160541 0.74 JAK1 (0.60) JAK1JAK3JAK2TYK2
SCHEMBL9920216 0.73 JAK3 (0.47) JAK1JAK3JAK2TYK2
SCHEMBL9920227 0.72 JAK2 (0.48) JAK1JAK3JAK2TYK2
SCHEMBL9923339 0.71 JAK2 (0.58) JAK1JAK3JAK2TYK2
SCHEMBL12875103 0.71 JAK2 (0.57) JAK1JAK3JAK2TYK2
SCHEMBL9920225 0.71 JAK2 (0.53) JAK1JAK3JAK2TYK2

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-2011014817-A1 PYRROLO [1, 2-B] PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-02-03 WO disclosed