SCHEMBL21596912

SCHEMBL21596912

COc1cc(-c2cccc(O)c2)cc2noc(N)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.46
ACVR1 Q04771 2/20 0.46
BMPR1A P36894 1/20 0.46
TGFBR1 P36897 1/20 0.46
ACVRL1 P37023 1/20 0.46
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
SRC P12931 2/20 0.41
FLT3 P36888 2/20 0.41
MAP4K4 O95819 2/20 0.41
PLK4 O00444 1/20 0.41
ROCK2 O75116 1/20 0.41
RPS6KA5 O75582 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41

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
SCHEMBL21596927 0.85 FYN (0.41) FYNFLT3PDGFRBPDGFRAALDH1A1
SCHEMBL21596867 0.80 KDR (0.56) FYNACVR1BMPR1ATGFBR1ACVRL1
SCHEMBL29652439 0.80 KDR (0.56) FYNACVR1BMPR1ATGFBR1ACVRL1
SCHEMBL21596911 0.74 NPC1 (0.48) ALDH1A1GAAMAPTPIK3CDCYP1A1
SCHEMBL21596932 0.73 DCPS (0.51) ALDH1A1GAA
SCHEMBL22954804 0.71 CYP3A4 (0.69) FYNACVR1BMPR1ATGFBR1ACVRL1
SCHEMBL21596930 0.70 NQO2 (0.41) PIM1MAP4K2AURKBALDH1A1MAPT
SCHEMBL21596936 0.70 ALDH1A1 (0.33) ALDH1A1GAA
SCHEMBL21596916 0.67 MLYCD (0.32) ALDH1A1GAA
SCHEMBL29431753 0.67 KDM1A (0.57) FYNACVR1BMPR1ATGFBR1ACVRL1

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