SCHEMBL4084023

SCHEMBL4084023

CN1CCN(c2cccc(Nc3nc(-c4cc5c(s4)CCN(C(=O)c4cnn(C)c4)C5)c4cc[nH]c4n3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.49
PTK2 Q05397 4/20 0.44
JAK2 O60674 4/20 0.41
EGFR P00533 4/20 0.41
JAK3 P52333 3/20 0.41
JAK1 P23458 2/20 0.41
BTK Q06187 2/20 0.41
KCNH2 Q12809 1/20 0.41
CDK2 P24941 5/20 0.41
CCNA2 P20248 3/20 0.41
CCNA1 P78396 1/20 0.41
BRD4 O60885 1/20 0.40
PDPK1 O15530 1/20 0.40
AURKA O14965 2/20 0.39
LRRK2 Q5S007 1/20 0.39
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39

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
SCHEMBL13883687 0.91 KDR (0.44) TTKPTK2JAK2EGFRJAK3
SCHEMBL3971546 0.89 CDK2 (0.45) TTKPTK2JAK2EGFRJAK3
SCHEMBL4072936 0.89 TTK (0.42) TTKPTK2JAK2EGFRJAK3
SCHEMBL13883500 0.87 JAK2 (0.46) TTKPTK2JAK2EGFRJAK3
SCHEMBL13883690 0.87 JAK2 (0.43) TTKPTK2JAK2EGFRJAK3
SCHEMBL3964197 0.86 JAK2 (0.40) TTKPTK2JAK2EGFRJAK3
SCHEMBL3966039 0.86 JAK2 (0.39) TTKPTK2JAK2EGFRJAK3
SCHEMBL13883692 0.85 JAK2 (0.41) TTKPTK2JAK2EGFRJAK3
SCHEMBL13883685 0.85 JAK2 (0.44) TTKPTK2JAK2EGFRJAK3
SCHEMBL13883697 0.85 JAK2 (0.41) TTKPTK2JAK2EGFRJAK3

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