SCHEMBL4085413

SCHEMBL4085413

N#Cc1ccc(-c2nc(Nc3ccc(-n4ccnc4)cc3)nc3[nH]ccc23)s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTK P33981 8/20 0.38
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
JAK2 O60674 4/20 0.34
JAK1 P23458 1/20 0.34
FLT3 P36888 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CD38 P28907 1/20 0.33
IKBKB O14920 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL13883701 0.85 TTK (0.39) TTKJAK2JAK1CYP1A1CYP1A2
SCHEMBL3971407 0.80 TTK (0.61) TTKJAK2JAK1FLT3
SCHEMBL4073923 0.80 TTK (0.40) TTKJAK2JAK1CYP1A1CYP1A2
SCHEMBL4075295 0.76 TTK (0.38) TTKJAK2JAK1HDAC1HDAC6
SCHEMBL4410518 0.76 L3MBTL1 (0.34) JAK2FLT3CYP1A1CYP1A2CYP1B1
SCHEMBL13883565 0.72 TNIK (0.35) TTKJAK2JAK1HDAC1HDAC6
SCHEMBL3970311 0.67 TTK (0.66) TTKJAK2JAK1
SCHEMBL3975589 0.66 TTK (0.58) TTKJAK2JAK1FLT3
SCHEMBL13883586 0.65 CYP11B1 (0.42) TTKJAK1CYP1A1CYP1A2CYP1B1
SCHEMBL13883551 0.65 TUBB4A (0.41) TTKJAK2JAK1

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