SCHEMBL3966039

SCHEMBL3966039

Cc1nc(C(=O)N2CCc3sc(-c4nc(Nc5cccc(N6CCN(C)CC6)c5)nc5[nH]ccc45)cc3C2)c(C)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.39
BRD4 O60885 1/20 0.39
TTK P33981 1/20 0.39
EGFR P00533 4/20 0.39
JAK3 P52333 3/20 0.39
JAK1 P23458 2/20 0.39
BTK Q06187 2/20 0.39
KCNH2 Q12809 1/20 0.39
CDK2 P24941 9/20 0.38
AURKA O14965 2/20 0.38
PDPK1 O15530 1/20 0.37
CCNA2 P20248 7/20 0.37
CCNT1 O60563 6/20 0.37
CDK9 P50750 6/20 0.37
PTK2 Q05397 3/20 0.37
CCNA1 P78396 1/20 0.37
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CDK7 P50613 2/20 0.36
CCNH P51946 2/20 0.36

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
SCHEMBL3975618 0.88 TSHR (0.40) JAK2BRD4TTKEGFRJAK3
SCHEMBL3971546 0.88 CDK2 (0.45) JAK2BRD4TTKEGFRJAK3
SCHEMBL3964197 0.87 JAK2 (0.40) JAK2BRD4TTKEGFRJAK3
SCHEMBL13883690 0.86 JAK2 (0.43) JAK2BRD4TTKEGFRJAK3
SCHEMBL4084023 0.86 TTK (0.49) JAK2BRD4TTKEGFRJAK3
SCHEMBL13883500 0.86 JAK2 (0.46) JAK2BRD4TTKEGFRJAK3
SCHEMBL4072936 0.85 TTK (0.42) JAK2BRD4TTKEGFRJAK3
SCHEMBL13883687 0.85 KDR (0.44) JAK2BRD4TTKEGFRJAK3
SCHEMBL13883495 0.85 TTK (0.42) JAK2BRD4TTKEGFRJAK3
SCHEMBL13883685 0.84 JAK2 (0.44) JAK2BRD4TTKEGFRJAK3

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