SCHEMBL17827174

SCHEMBL17827174

N=C(c1c(N)cnc2[nH]ccc12)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.47
HPGDS O60760 1/20 0.42
AURKA O14965 3/20 0.41
TYK2 P29597 1/20 0.41
JAK1 P23458 10/20 0.40
JAK2 O60674 7/20 0.40
PRKCA P17252 2/20 0.40
KDR P35968 2/20 0.40
PBK Q96KB5 1/20 0.38

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
SCHEMBL13580608 0.75 CSF1R (0.38) JAK3TYK2JAK1JAK2
SCHEMBL19292158 0.72 IKBKB (0.46) JAK3TYK2JAK1JAK2
SCHEMBL14493881 0.70 JAK3 (0.56) JAK3HPGDSAURKATYK2JAK1
SCHEMBL1934804 0.69 JAK2 (0.60) JAK3HPGDSAURKATYK2JAK1
SCHEMBL1536982 0.69 JAK3 (0.59) JAK3AURKATYK2JAK1JAK2
SCHEMBL14493884 0.69 JAK3 (0.59) JAK3HPGDSAURKATYK2JAK1
SCHEMBL1536810 0.69 JAK3 (0.46) JAK3HPGDSAURKATYK2JAK1
SCHEMBL1536809 0.69 JAK3 (0.46) JAK3HPGDSAURKATYK2JAK1
SCHEMBL13579878 0.69 JAK3 (0.46) JAK3HPGDSAURKATYK2JAK1
SCHEMBL15372867 0.69 TTBK1 (0.43) JAK3TYK2JAK1JAK2KDR

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
EP-3031324-A2 TRICYCLIC KINASE INHIBITORS AbbVie Inc. (US) 2016-06-15 EP disclosed