SCHEMBL3966549

SCHEMBL3966549

CC(=O)CCCc1ccc2sc(-c3nc(Nc4cccc(N5CCN(C)CC5)c4)nc4[nH]ccc34)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.42
JAK3 P52333 5/20 0.42
EGFR P00533 4/20 0.42
JAK1 P23458 4/20 0.42
BTK Q06187 4/20 0.42
KCNH2 Q12809 1/20 0.42
BRD4 O60885 1/20 0.41
TTK P33981 1/20 0.41
CDK2 P24941 4/20 0.39
AURKA O14965 1/20 0.39
LRRK2 Q5S007 1/20 0.39
MAP3K7 O43318 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38
FLT3 P36888 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
PTK2 Q05397 4/20 0.38

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
SCHEMBL13883506 0.84 TTK (0.43) JAK2JAK3EGFRJAK1BTK
SCHEMBL3975590 0.83 TTK (0.48) JAK2JAK3EGFRJAK1BTK
SCHEMBL3974456 0.82 TTK (0.50) JAK2JAK3EGFRJAK1BTK
SCHEMBL3964230 0.81 TTK (0.46) JAK2JAK3EGFRJAK1BTK
SCHEMBL4080704 0.80 LRRK2 (0.46) JAK2JAK3EGFRJAK1BTK
SCHEMBL3969198 0.79 WEE1 (0.39) JAK2JAK3JAK1BTKBRD4
SCHEMBL3971867 0.76 TTK (0.46) JAK2JAK3EGFRJAK1BTK
SCHEMBL3971546 0.76 CDK2 (0.45) JAK2JAK3EGFRJAK1BTK
SCHEMBL3970156 0.74 TTK (0.61) JAK2JAK3EGFRJAK1BTK
SCHEMBL13883692 0.74 JAK2 (0.41) JAK2JAK3EGFRJAK1BTK

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 1 patent. 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