SCHEMBL3969995

SCHEMBL3969995

CN1CCN(c2ccc(Nc3nc(-c4sccc4C#N)c4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.62
PTK2 Q05397 4/20 0.50
JAK3 P52333 4/20 0.48
JAK2 O60674 2/20 0.47
MAP3K7 O43318 1/20 0.47
BRD4 O60885 1/20 0.47
EGFR P00533 4/20 0.47
BTK Q06187 2/20 0.46
JAK1 P23458 1/20 0.44
KCNH2 Q12809 1/20 0.44
CCNT1 O60563 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CCNH P51946 1/20 0.44
CCNA1 P78396 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
SCHEMBL3970607 0.89 TTK (0.49) TTKPTK2JAK3JAK2BRD4
SCHEMBL3971407 0.82 TTK (0.61) TTKPTK2JAK3JAK2MAP3K7
SCHEMBL3970767 0.81 TTK (0.55) TTKPTK2JAK3JAK2MAP3K7
SCHEMBL3966520 0.81 TTK (0.55) TTKPTK2JAK3JAK2MAP3K7
SCHEMBL3975589 0.80 TTK (0.58) TTKPTK2JAK3JAK2MAP3K7
SCHEMBL13885168 0.79 TTK (0.55) TTKPTK2JAK3JAK2MAP3K7
SCHEMBL3970311 0.79 TTK (0.66) TTKPTK2JAK3JAK2MAP3K7
SCHEMBL3970291 0.78 TTK (0.63) TTKPTK2JAK3JAK2MAP3K7
SCHEMBL3971213 0.78 TTK (0.56) TTKPTK2JAK3JAK2MAP3K7
SCHEMBL3971424 0.78 TTK (0.56) TTKPTK2JAK3JAK2MAP3K7

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