SCHEMBL4256785

SCHEMBL4256785

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.57
BRD4 O60885 2/20 0.57
TTK P33981 6/20 0.51
FLT3 P36888 3/20 0.51
CDK2 P24941 3/20 0.51
CCNE1 P24864 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
PTK2 Q05397 3/20 0.49
EGFR P00533 1/20 0.49
JAK1 P23458 1/20 0.49
JAK3 P52333 1/20 0.49
BTK Q06187 1/20 0.49
KCNH2 Q12809 1/20 0.49
WEE1 P30291 1/20 0.48
NTRK1 P04629 1/20 0.46
NTRK3 Q16288 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
SCHEMBL4248780 0.87 JAK2 (0.54) JAK2BRD4TTKFLT3CDK2
SCHEMBL3966565 0.86 TTK (0.66) JAK2BRD4TTKPTK2EGFR
SCHEMBL14547962 0.80 JAK2 (0.57) JAK2BRD4TTKFLT3CDK2
SCHEMBL3970170 0.80 TTK (0.51) JAK2BRD4TTKFLT3CDK2
SCHEMBL3974456 0.79 TTK (0.50) JAK2BRD4TTKFLT3CDK2
SCHEMBL30348362 0.79 TTK (0.48) JAK2BRD4TTKFLT3CDK2
SCHEMBL3970607 0.78 TTK (0.49) JAK2BRD4TTKFLT3CDK2
SCHEMBL3975590 0.77 TTK (0.48) JAK2BRD4TTKFLT3CDK2
SCHEMBL3971558 0.76 TTK (0.47) JAK2BRD4TTKFLT3CDK2
SCHEMBL13883885 0.76 TTK (0.47) JAK2BRD4TTKFLT3CDK2

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