SCHEMBL4248780

SCHEMBL4248780

CN1CCN(c2cccc(Nc3nc(O)c4cc[nH]c4n3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.54
BRD4 O60885 1/20 0.54
TTK P33981 5/20 0.51
FLT3 P36888 3/20 0.51
CCNE1 P24864 2/20 0.51
CDK2 P24941 2/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CDK7 P50613 1/20 0.51
CCNH P51946 1/20 0.51
MNAT1 P51948 1/20 0.51
JAK3 P52333 5/20 0.51
JAK1 P23458 4/20 0.51
EGFR P00533 3/20 0.51
BTK Q06187 3/20 0.51
KCNH2 Q12809 1/20 0.51
PTK2 Q05397 5/20 0.49
MAP3K7 O43318 1/20 0.46
LRRK2 Q5S007 1/20 0.46

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
SCHEMBL4256785 0.87 JAK2 (0.57) JAK2BRD4TTKFLT3CCNE1
SCHEMBL3971076 0.86 TTK (0.66) JAK2BRD4TTKJAK3JAK1
SCHEMBL14547962 0.80 JAK2 (0.57) JAK2BRD4TTKFLT3CCNE1
SCHEMBL3970170 0.80 TTK (0.51) JAK2BRD4TTKFLT3CCNE1
SCHEMBL3974456 0.79 TTK (0.50) JAK2BRD4TTKFLT3CCNE1
SCHEMBL3970607 0.78 TTK (0.49) JAK2BRD4TTKFLT3CCNE1
SCHEMBL3975590 0.77 TTK (0.48) JAK2BRD4TTKFLT3CCNE1
SCHEMBL3971558 0.76 TTK (0.47) JAK2BRD4TTKFLT3CCNE1
SCHEMBL13883885 0.76 TTK (0.47) JAK2BRD4TTKFLT3CCNE1
SCHEMBL30347270 0.76 TTK (0.49) JAK2BRD4TTKFLT3CCNE1

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
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed