SCHEMBL9853247

SCHEMBL9853247

O=C1Nc2ccncc2Oc2c(Cl)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.41
ROCK2 O75116 2/20 0.41
MAP4K4 O95819 2/20 0.41
PRKACA P17612 2/20 0.41
CDK2 P24941 2/20 0.41
GSK3B P49841 2/20 0.41
HIPK2 Q9H2X6 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
MKNK2 Q9HBH9 1/20 0.41
TGM2 P21980 4/20 0.36
BRD4 O60885 1/20 0.36
MAPK7 Q13164 1/20 0.36
CES1 P23141 2/20 0.36
NSD2 O96028 1/20 0.36
BCHE P06276 1/20 0.36
DAO P14920 1/20 0.36
AHR P35869 2/20 0.35
CHEK1 O14757 1/20 0.35
MAPT P10636 2/20 0.34

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
SCHEMBL8134709 0.81 MAPT (0.49) CES1NSD2BCHEDAOAHR
SCHEMBL9853252 0.79 MAPT (0.45) CDC7ROCK2MAP4K4PRKACACDK2
SCHEMBL1367572 0.70 MAPT (0.51) CDC7ROCK2MAP4K4PRKACACDK2
SCHEMBL12367150 0.69 CDK2 (0.43) CDC7ROCK2MAP4K4PRKACACDK2
SCHEMBL9853272 0.69 MAPT (0.48) CDC7ROCK2MAP4K4PRKACACDK2
SCHEMBL30595249 0.65 LMNA (0.52) CDK2GSK3BTGM2CES1AHR
SCHEMBL2509785 0.64 ACVR1 (0.69) CDC7ROCK2MAP4K4PRKACACDK2
SCHEMBL8136244 0.64 MEN1 (0.54) GSK3BCHEK1MAPTTP53LMNA
SCHEMBL5357237 0.64 MAPT (0.45) GSK3BCHEK1MAPTTP53LMNA
SCHEMBL9174571 0.63 ACVR1 (0.62) CDC7ROCK2MAP4K4PRKACACDK2

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-0413300-A1 Pyrido [3,4-b][1,4] benzoxazepines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-02-20 EP disclosed
US-4940704-A Pyrido[3,4-b][1,4]benzoxazepines HOECHST-ROUSSEL PHARMACEUTICAL INC. (US) 1990-07-10 US disclosed