SCHEMBL3971424

SCHEMBL3971424

CN1CCN(c2ccc(Nc3nc(-c4cc5ccc(C#N)cc5s4)c4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.56
PTK2 Q05397 3/20 0.46
JAK2 O60674 2/20 0.45
BRD4 O60885 1/20 0.45
FLT3 P36888 2/20 0.45
MAP3K7 O43318 1/20 0.43
JAK3 P52333 4/20 0.43
EGFR P00533 3/20 0.43
BTK Q06187 2/20 0.42
JAK1 P23458 1/20 0.42
KCNH2 Q12809 1/20 0.42
AURKA O14965 1/20 0.41

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
SCHEMBL3971213 0.93 TTK (0.56) TTKPTK2JAK2BRD4FLT3
SCHEMBL3971867 0.91 TTK (0.46) TTKPTK2JAK2BRD4FLT3
SCHEMBL3970156 0.86 TTK (0.61) TTKPTK2JAK2BRD4MAP3K7
SCHEMBL3964230 0.85 TTK (0.46) TTKPTK2JAK2BRD4FLT3
SCHEMBL3970767 0.84 TTK (0.55) TTKPTK2JAK2BRD4MAP3K7
SCHEMBL3975589 0.84 TTK (0.58) TTKPTK2JAK2BRD4FLT3
SCHEMBL3966520 0.83 TTK (0.55) TTKPTK2JAK2BRD4FLT3
SCHEMBL3971407 0.83 TTK (0.61) TTKPTK2JAK2BRD4FLT3
SCHEMBL3976981 0.81 PRKCQ (0.44) TTKPTK2JAK2JAK3EGFR
SCHEMBL13883460 0.81 BACE1 (0.40) JAK2JAK3

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