SCHEMBL4254804

SCHEMBL4254804

c1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.64
HRH3 Q9Y5N1 2/20 0.64
BACE1 P56817 6/20 0.61
HRH2 P25021 1/20 0.60
LTA4H P09960 6/20 0.59
PTGS2 P35354 1/20 0.59
JAK2 O60674 2/20 0.57
JAK3 P52333 2/20 0.57
PTK2 Q05397 1/20 0.57
CHRNB2 P17787 1/20 0.57
CHRNA4 P43681 1/20 0.57
BRAF P15056 1/20 0.56
SRC P12931 1/20 0.55

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
SCHEMBL31745353 0.85 JAK1 (0.59) AXLHRH3BACE1HRH2LTA4H
SCHEMBL4880015 0.85 AIMP2 (0.57) AXLHRH3BACE1LTA4HPTGS2
SCHEMBL2498482 0.85 BACE1 (0.63) AXLBACE1LTA4HPTGS2JAK2
SCHEMBL4074376 0.84 HRH3 (0.62) AXLHRH3BACE1JAK2JAK3
SCHEMBL12109533 0.84 HRH3 (0.77) AXLHRH3BACE1HRH2LTA4H
SCHEMBL11877770 0.84 HRH3 (0.83) HRH3HRH2LTA4H
SCHEMBL12278133 0.82 HRH3 (0.69) AXLHRH3BACE1JAK2JAK3
SCHEMBL11882995 0.82 HRH3 (0.86) HRH3HRH2LTA4H
SCHEMBL11877113 0.82 HRH3 (0.86) HRH3HRH2LTA4H
SCHEMBL264885 0.81 HRH3 (0.70) AXLHRH3BACE1HRH2LTA4H

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO claimed
EP-1802586-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2007-07-04 EP claimed
WO-2006044823-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2006-04-27 WO claimed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed