SCHEMBL8539778

SCHEMBL8539778

CC(=O)OCCn1cnc2c(Cl)nc(Nc3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.49
PRKCA P17252 2/20 0.49
IDH2 P48735 6/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
APP P05067 3/20 0.42
NR3C1 P04150 1/20 0.42
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PDE4D Q08499 1/20 0.41
KCNH2 Q12809 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
SCHEMBL8537871 0.86 HDAC1 (0.42) LMNAMAPK1
SCHEMBL8535480 0.82 TK1 (0.52)
SCHEMBL8539832 0.80 TK1 (0.46)
SCHEMBL5801330 0.75 HDAC3 (0.40)
SCHEMBL6523725 0.75 KDM4E (0.48)
SCHEMBL12537333 0.73 P2RX7 (0.50) LMNAMAPT
SCHEMBL8536493 0.69 TK1 (0.45)
SCHEMBL8157896 0.69 CTSL (0.51)
SCHEMBL20973093 0.68 MAPT (0.42) LMNAMAPTNR3C1
SCHEMBL5839910 0.68 CDK1 (0.69) CDK1PRKCAMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794781-A4 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIV MASSACHUSETTS MEDICAL (US) 1998-04-22 EP disclosed
EP-0794781-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-09-17 EP disclosed
US-5646155-A ADMINISTERING A 9-SUBSTITUTED-N2-PHENYLGUANINE DERIVATIVE UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-07-08 US disclosed
WO-1996020711-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-07-11 WO disclosed