SCHEMBL3723004

SCHEMBL3723004

CC(C)(C)OC(=O)N1CCN(c2c(-c3cccc(I)c3)cnc3[nH]ncc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.47
CKS1B P61024 2/20 0.44
SKP1 P63208 2/20 0.44
SKP2 Q13309 2/20 0.44
MAPK1 P28482 1/20 0.44
JAK1 P23458 1/20 0.42
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
ALK Q9UM73 1/20 0.40
GBA1 P04062 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CDK19 Q9BWU1 1/20 0.39
CHEK1 O14757 3/20 0.39
BACE1 P56817 3/20 0.39
NAMPT P43490 1/20 0.39
CHEK2 O96017 1/20 0.39
ACHE P22303 1/20 0.39
MAPK8 P45983 1/20 0.39

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
SCHEMBL3717407 0.89 CKS1B (0.53) KITCKS1BSKP1SKP2JAK1
SCHEMBL3739355 0.79 JAK1 (0.42) KITCKS1BSKP1SKP2JAK1
SCHEMBL3724866 0.78 JAK1 (0.52) KITCKS1BSKP1SKP2MAPK1
SCHEMBL3725787 0.77 JAK1 (0.51) KITCKS1BSKP1SKP2MAPK1
SCHEMBL3716316 0.77 JAK1 (0.45) KITCKS1BSKP1SKP2MAPK1
SCHEMBL3729051 0.76 JAK1 (0.56) KITCKS1BSKP1SKP2MAPK1
SCHEMBL3717739 0.76 CKS1B (0.50) KITCKS1BSKP1SKP2ALK
SCHEMBL3739352 0.75 JAK1 (0.44) KITCKS1BSKP1SKP2MAPK1
SCHEMBL3662967 0.74 CHEK1 (0.55) CKS1BSKP1SKP2CCNCCDK8
SCHEMBL3721916 0.73 PIK3CD (0.56) KITCKS1BSKP1SKP2CCNK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242757-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 EP disclosed
WO-2009089359-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 WO disclosed