SCHEMBL3971076

SCHEMBL3971076

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

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.66
PTK2 Q05397 4/20 0.59
MAP3K7 O43318 1/20 0.58
EGFR P00533 4/20 0.57
JAK2 O60674 3/20 0.55
BRD4 O60885 1/20 0.55
JAK3 P52333 5/20 0.55
BTK Q06187 2/20 0.55
JAK1 P23458 1/20 0.54
KCNH2 Q12809 1/20 0.54
LRRK2 Q5S007 1/20 0.49

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) TTKPTK2MAP3K7EGFRJAK2
SCHEMBL4248780 0.86 JAK2 (0.54) TTKPTK2MAP3K7EGFRJAK2
SCHEMBL3966565 0.86 TTK (0.66) TTKPTK2MAP3K7EGFRJAK2
SCHEMBL13885167 0.79 TTK (0.66) TTKPTK2MAP3K7EGFRJAK2
SCHEMBL30002846 0.79 TTK (1.00) TTKPTK2MAP3K7EGFRJAK2
SCHEMBL3970311 0.79 TTK (0.66) TTKPTK2MAP3K7EGFRJAK2
SCHEMBL14670644 0.79 JAK3 (0.75) TTKPTK2EGFRJAK2BRD4
SCHEMBL18018942 0.78 PTK2 (0.61) TTKPTK2MAP3K7EGFRJAK2
SCHEMBL3971640 0.78 TTK (0.62) TTKPTK2MAP3K7EGFRJAK2
SCHEMBL18018945 0.78 MAP3K7 (0.78) TTKPTK2MAP3K7EGFRJAK2

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