SCHEMBL3969022

SCHEMBL3969022

CN1CCN(c2ccc(Nc3nc(-c4ccc(C(=O)O)s4)c4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.60
MAP3K7 O43318 1/20 0.52
EGFR P00533 3/20 0.51
PTK2 Q05397 4/20 0.51
JAK3 P52333 4/20 0.50
BTK Q06187 2/20 0.50
JAK2 O60674 2/20 0.49
JAK1 P23458 1/20 0.49
KCNH2 Q12809 1/20 0.49
BRD4 O60885 1/20 0.48
FLT3 P36888 1/20 0.47
LRRK2 Q5S007 1/20 0.45

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
SCHEMBL4236776 0.92 TTK (0.59) TTKMAP3K7EGFRPTK2JAK3
SCHEMBL3973625 0.88 TTK (0.55) TTKMAP3K7EGFRPTK2JAK3
SCHEMBL3970311 0.87 TTK (0.66) TTKMAP3K7EGFRPTK2JAK3
SCHEMBL3972654 0.85 TTK (0.62) TTKMAP3K7EGFRPTK2JAK3
SCHEMBL3971640 0.85 TTK (0.62) TTKMAP3K7EGFRPTK2JAK3
SCHEMBL3971407 0.83 TTK (0.61) TTKMAP3K7EGFRPTK2JAK3
SCHEMBL13883474 0.82 TTK (0.57) TTKPTK2JAK3BTKJAK2
SCHEMBL3970156 0.79 TTK (0.61) TTKMAP3K7EGFRPTK2JAK3
SCHEMBL13883583 0.79 TTK (0.54) TTKMAP3K7EGFRPTK2JAK3
SCHEMBL3966554 0.79 TTK (0.54) TTKMAP3K7EGFRPTK2JAK3

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