SCHEMBL21596913

SCHEMBL21596913

Cc1cc2c(N)onc2cc1-c1ncco1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.35
BRD4 O60885 1/20 0.33
PIK3CD O00329 1/20 0.30
PIK3CG P48736 1/20 0.30
CSNK1A1 P48729 1/20 0.30
CSNK1D P48730 1/20 0.30
CSNK1E P49674 1/20 0.30

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
SCHEMBL21596805 0.78 CFTR (0.36) CFTRBRD4PIK3CDPIK3CGCSNK1A1
SCHEMBL29652442 0.78 CFTR (0.36) CFTRBRD4PIK3CDPIK3CGCSNK1A1
SCHEMBL21596918 0.74 BRD4 (0.39) BRD4CSNK1A1CSNK1DCSNK1E
SCHEMBL21596937 0.73 TDO2 (0.47)
SCHEMBL4408061 0.69 KDM4E (0.43) CFTRBRD4PIK3CDPIK3CG
SCHEMBL655701 0.67 BRD4 (0.36) CFTRBRD4PIK3CDPIK3CG
SCHEMBL5210212 0.66 KDM4E (0.37) CFTRBRD4PIK3CDPIK3CGCSNK1A1
SCHEMBL16892132 0.66 BRD4 (0.45) BRD4
SCHEMBL1289874 0.65 ALDH1A1 (0.42) CFTRBRD4PIK3CDPIK3CG
SCHEMBL11017014 0.65 NPC1 (0.46) BRD4

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