SCHEMBL3973909

SCHEMBL3973909

Cc1cc(-c2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3[nH]ccc23)sc1CO

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.58
PTK2 Q05397 4/20 0.47
JAK2 O60674 2/20 0.47
MAP3K7 O43318 1/20 0.47
BRD4 O60885 1/20 0.47
EGFR P00533 4/20 0.46
JAK3 P52333 4/20 0.46
BTK Q06187 2/20 0.46
JAK1 P23458 1/20 0.46
KCNH2 Q12809 1/20 0.46
LRRK2 Q5S007 1/20 0.42

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
SCHEMBL3971640 0.85 TTK (0.62) TTKPTK2JAK2MAP3K7BRD4
SCHEMBL3975589 0.84 TTK (0.58) TTKPTK2JAK2MAP3K7BRD4
SCHEMBL13883625 0.84 TTK (0.56) TTKPTK2JAK2MAP3K7BRD4
SCHEMBL3970311 0.83 TTK (0.66) TTKPTK2JAK2MAP3K7BRD4
SCHEMBL4075295 0.82 TTK (0.38) TTKJAK2JAK3JAK1
SCHEMBL13883515 0.82 TTK (0.45) TTKPTK2JAK2EGFRJAK3
SCHEMBL3970156 0.81 TTK (0.61) TTKPTK2JAK2MAP3K7BRD4
SCHEMBL3970291 0.81 TTK (0.63) TTKPTK2JAK2MAP3K7BRD4
SCHEMBL13883716 0.81 AXL (0.45) JAK2BRD4EGFRJAK3JAK1
SCHEMBL3969022 0.79 TTK (0.60) TTKPTK2JAK2MAP3K7BRD4

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