SCHEMBL3974786

SCHEMBL3974786

CN1CCN(c2ccc(Nc3nc(-c4cc(-c5ccccc5)cs4)c4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.61
PTK2 Q05397 3/20 0.52
JAK2 O60674 2/20 0.49
BRD4 O60885 1/20 0.49
MAP4K1 Q92918 1/20 0.48
EGFR P00533 3/20 0.46
JAK3 P52333 3/20 0.46
BTK Q06187 3/20 0.46
JAK1 P23458 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAP3K7 O43318 1/20 0.46
KDM1A O60341 1/20 0.44
GLA P06280 1/20 0.44
ADRA2A P08913 1/20 0.44
SLC2A1 P11166 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL3970058 0.89 TTK (0.56) TTKPTK2JAK2BRD4MAP4K1
SCHEMBL3970291 0.87 TTK (0.63) TTKPTK2JAK2BRD4EGFR
SCHEMBL13883569 0.84 TTK (0.50) TTKPTK2JAK2BRD4EGFR
SCHEMBL3970156 0.84 TTK (0.61) TTKPTK2JAK2BRD4EGFR
SCHEMBL13883582 0.83 TTK (0.49) TTKPTK2JAK2BRD4MAP4K1
SCHEMBL13883596 0.82 TTK (0.56) TTKPTK2JAK2BRD4EGFR
SCHEMBL13883494 0.81 TTK (0.56) TTKPTK2JAK2BRD4EGFR
SCHEMBL3970311 0.80 TTK (0.66) TTKPTK2JAK2BRD4EGFR
SCHEMBL3970170 0.79 TTK (0.51) TTKPTK2JAK2BRD4EGFR
SCHEMBL13885167 0.78 TTK (0.66) 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