SCHEMBL5200215

SCHEMBL5200215

Cc1cc(Nc2ncco2)ccc1N1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.54
JAK3 P52333 2/20 0.54
TNK2 Q07912 4/20 0.43
KIT P10721 1/20 0.43
PDGFRA P16234 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
AXL P30530 1/20 0.41
TNIK Q9UKE5 3/20 0.41
KCNH2 Q12809 1/20 0.41
BRD4 O60885 1/20 0.41
PIM1 P11309 1/20 0.41
CDK4 P11802 1/20 0.41
CCND3 P30281 1/20 0.41
GSK3B P49841 1/20 0.41
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
EGFR P00533 1/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40

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
SCHEMBL5199072 0.80 ADRA2A (0.54) JAK2JAK3TNIKEGFRCDK2
SCHEMBL13485384 0.74 JAK2 (0.80) JAK2JAK3TNK2FLT3AXL
SCHEMBL29531326 0.73 AXL (0.60) JAK2JAK3TNK2KITPDGFRA
SCHEMBL24773731 0.73 JAK2 (0.48) JAK2JAK3TNK2KITPDGFRA
SCHEMBL5475439 0.70 VCP (0.60) JAK2JAK3KDRBRD4CCNA2
SCHEMBL2061550 0.70 TNK2 (0.57) JAK2JAK3TNK2PDGFRAKDR
SCHEMBL29578146 0.70 HTR1D (0.51) JAK2JAK3KITPDGFRAKDR
SCHEMBL29530850 0.69 AXL (0.55) JAK2JAK3TNK2KITPDGFRA
SCHEMBL14504076 0.69 JAK3 (0.45) JAK2JAK3TNK2KITPDGFRA
SCHEMBL3955783 0.68 AXL (0.59) JAK2JAK3TNK2KITPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551813-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-07-11 EP claimed
EP-1551813-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP claimed
WO-2004032882-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 WO claimed