SCHEMBL3966554

SCHEMBL3966554

CN1CCN(c2ccc(Nc3nc(-c4ccc(/C=C5/SC(=O)NC5=O)s4)c4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.54
PTK2 Q05397 6/20 0.46
MAP3K7 O43318 1/20 0.46
EGFR P00533 3/20 0.45
JAK3 P52333 3/20 0.44
BTK Q06187 2/20 0.44
JAK2 O60674 2/20 0.44
BRD4 O60885 1/20 0.44
JAK1 P23458 1/20 0.43
KCNH2 Q12809 1/20 0.43
PIM1 P11309 1/20 0.41
FLT3 P36888 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41

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
SCHEMBL13883583 1.00 TTK (0.54) TTKPTK2MAP3K7EGFRJAK3
SCHEMBL3972654 0.85 TTK (0.62) TTKPTK2MAP3K7EGFRJAK3
SCHEMBL3970311 0.82 TTK (0.66) TTKPTK2MAP3K7EGFRJAK3
SCHEMBL13883459 0.81 HPGD (0.53) PTK2JAK3JAK2JAK1PIM1
SCHEMBL3969022 0.79 TTK (0.60) TTKPTK2MAP3K7EGFRJAK3
SCHEMBL3971640 0.79 TTK (0.62) TTKPTK2MAP3K7EGFRJAK3
SCHEMBL4236776 0.78 TTK (0.59) TTKPTK2MAP3K7EGFRJAK3
SCHEMBL3971407 0.78 TTK (0.61) TTKPTK2MAP3K7EGFRJAK3
SCHEMBL3973625 0.75 TTK (0.55) TTKPTK2MAP3K7EGFRJAK3
SCHEMBL3970156 0.74 TTK (0.61) TTKPTK2MAP3K7EGFRJAK3

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 1 patent. 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