SCHEMBL3966565

SCHEMBL3966565

CN1CCN(c2ccc(Nc3nc(Cl)c4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTK P33981 7/20 0.66
PTK2 Q05397 3/20 0.59
JAK2 O60674 2/20 0.58
BRD4 O60885 1/20 0.58
MAP3K7 O43318 1/20 0.55
EGFR P00533 5/20 0.55
JAK3 P52333 3/20 0.53
BTK Q06187 2/20 0.53
JAK1 P23458 1/20 0.51
KCNH2 Q12809 1/20 0.51
ALK Q9UM73 1/20 0.50

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
SCHEMBL23010815 0.87 TTK (0.68) TTKPTK2JAK2BRD4MAP3K7
SCHEMBL8083844 0.87 TTK (0.62) TTKPTK2JAK2JAK3BTK
SCHEMBL4256785 0.86 JAK2 (0.57) TTKPTK2JAK2BRD4EGFR
SCHEMBL3971076 0.86 TTK (0.66) TTKPTK2JAK2BRD4MAP3K7
SCHEMBL14670644 0.79 JAK3 (0.75) TTKPTK2JAK2BRD4EGFR
SCHEMBL30002846 0.79 TTK (1.00) TTKPTK2JAK2BRD4MAP3K7
SCHEMBL13885167 0.79 TTK (0.66) TTKPTK2JAK2BRD4MAP3K7
SCHEMBL3970311 0.79 TTK (0.66) TTKPTK2JAK2BRD4MAP3K7
SCHEMBL18018942 0.78 PTK2 (0.61) TTKPTK2JAK2BRD4MAP3K7
SCHEMBL29813554 0.78 EGFR (0.62) TTKEGFRALK

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
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed
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