SCHEMBL21596918

SCHEMBL21596918

Nc1onc2cc(-c3ncco3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
LTA4H P09960 2/20 0.39
HPGDS O60760 1/20 0.36
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
RET P07949 2/20 0.34
KDR P35968 2/20 0.34
S1PR1 P21453 2/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
HDAC4 P56524 1/20 0.33
LCK P06239 1/20 0.33
KIT P10721 1/20 0.33
PIM1 P11309 1/20 0.33
CHRNA7 P36544 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 1/20 0.32
BACE1 P56817 4/20 0.32
BACE2 Q9Y5Z0 3/20 0.32

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
SCHEMBL21596920 0.76 PIK3CD (0.43) BRD4PIM1
SCHEMBL21596858 0.76 BRD4 (0.41) BRD4LTA4HHPGDSCCNCCDK8
SCHEMBL21596913 0.74 CFTR (0.35) BRD4CSNK1A1CSNK1DCSNK1E
SCHEMBL21596921 0.73 PIK3CD (0.47) RET
SCHEMBL17531762 0.72 MEN1 (0.48) BRD4LTA4HHPGDSCCNCCDK8
SCHEMBL722557 0.70 LTA4H (0.64) BRD4LTA4HHPGDSCCNCCDK8
SCHEMBL31734572 0.70 DYRK1A (0.50) LTA4HHPGDSS1PR1
SCHEMBL224239 0.69 LTA4H (0.55) LTA4HHPGDSKDRHDAC4CHRNA7
SCHEMBL26260185 0.69 LTA4H (0.55) BRD4LTA4HHPGDSCCNCCDK8
SCHEMBL15922137 0.69 KMT2A (0.41) KDR

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-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed