SCHEMBL12291376

SCHEMBL12291376

CCn1ccc2ncc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 18/20 0.40
HSD17B10 Q99714 1/20 0.38
GRIN1 Q05586 3/20 0.37

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
SCHEMBL20986111 0.80 GRIN2B (0.50) GRIN2BGRIN1
SCHEMBL22153089 0.79 GRIN2B (0.42) GRIN2BHSD17B10GRIN1
SCHEMBL16913922 0.78 GRIN2B (0.55) GRIN2BGRIN1
SCHEMBL16302844 0.78 CYP11B1 (0.47) GRIN2B
SCHEMBL3781277 0.77 GRIN2B (0.49) GRIN2BHSD17B10GRIN1
SCHEMBL28518318 0.77 KDM4E (0.49) GRIN2BGRIN1
SCHEMBL2371256 0.77 HSD17B10 (0.44) GRIN2BHSD17B10GRIN1
SCHEMBL16302840 0.76 HSD17B10 (0.35) GRIN2BHSD17B10
SCHEMBL16302851 0.76 HSD17B10 (0.35) GRIN2BHSD17B10
SCHEMBL797478 0.75 DGAT1 (0.41) GRIN2BGRIN1

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-2011110575-A1 DERIVATIVES OF 2-[2-(BENZO- OR PYRIDO-) THIAZOLYLAMINO]-6-AMINOPYRIDINE, USEFUL IN THE TREATMENT OF RESPIRATORIC, ALLERGIC OR INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2011-09-15 WO disclosed