SCHEMBL3970156

SCHEMBL3970156

CN1CCN(c2ccc(Nc3nc(-c4cc5ccccc5s4)c4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTK P33981 8/20 0.61
PTK2 Q05397 5/20 0.54
JAK2 O60674 2/20 0.51
BRD4 O60885 1/20 0.51
EGFR P00533 3/20 0.47
JAK3 P52333 3/20 0.47
BTK Q06187 2/20 0.47
JAK1 P23458 1/20 0.47
KCNH2 Q12809 1/20 0.47
MAP3K7 O43318 1/20 0.47

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
SCHEMBL3974456 0.91 TTK (0.50) TTKPTK2JAK2BRD4EGFR
SCHEMBL3970803 0.88 JAK2 (0.51) TTKPTK2JAK2BRD4EGFR
SCHEMBL3971424 0.86 TTK (0.56) TTKPTK2JAK2BRD4EGFR
SCHEMBL3971213 0.86 TTK (0.56) TTKPTK2JAK2BRD4EGFR
SCHEMBL3970767 0.85 TTK (0.55) TTKPTK2JAK2BRD4EGFR
SCHEMBL3974786 0.84 TTK (0.61) TTKPTK2JAK2BRD4EGFR
SCHEMBL3966520 0.84 TTK (0.55) TTKPTK2JAK2BRD4EGFR
SCHEMBL3970311 0.84 TTK (0.66) TTKPTK2JAK2BRD4EGFR
SCHEMBL3975590 0.81 TTK (0.48) TTKPTK2JAK2BRD4EGFR
SCHEMBL3970291 0.81 TTK (0.63) TTKPTK2JAK2BRD4EGFR

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