SCHEMBL432772

SCHEMBL432772

Nc1[nH]c(=O)nc2c1N=C[N]2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
IGF1R P08069 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK8 P45983 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK8 P49336 1/20 0.36
GSK3A P49840 1/20 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
SCHEMBL142922 0.73 QTRT1 (0.42) DYRK1A
SCHEMBL9667465 0.65 USP2 (0.30)
SCHEMBL546663 0.63 TYMS (0.40)
SCHEMBL546930 0.62 KDM4E (0.36)
SCHEMBL6857232 0.62 PKM (0.46) TSHR
SCHEMBL535022 0.61 QTRT1 (0.42) DYRK1A
SCHEMBL7452627 0.60 CDK2 (0.32)
SCHEMBL2258938 0.60
SCHEMBL10401761 0.60
SCHEMBL4058595 0.60

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
EP-2596102-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GeneArrest Ltd (IL) 2013-05-29 EP disclosed
WO-2012011114-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2012-01-26 WO disclosed