SCHEMBL8537129

SCHEMBL8537129

Nc1nc2nc[nH]c2c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
BRAF P15056 1/20 0.49
CYP1A2 P05177 1/20 0.47
GAA P10253 2/20 0.46
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
XDH P47989 2/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GSR P00390 2/20 0.40
CCKBR P32239 1/20 0.40
PLA2G10 O15496 1/20 0.40
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3C2A O00443 1/20 0.39
PIK3C2B O00750 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL15542830 0.82 PDE4A (0.39) KMT2ACDC7DBF4PIK3CDPIK3R1
SCHEMBL8537120 0.81 CYP1A2 (0.47) SMN1; SMN2BRAFCYP1A2GAAXDH
SCHEMBL1286947 0.81 MAPK1 (0.51) SMN1; SMN2CYP1A2KMT2APIK3CDPIK3R1
Hydrochloric Acid SCHEMBL21799343 0.80 MAPK1 (0.50) SMN1; SMN2CYP1A2KMT2APIK3CDPIK3R1
SCHEMBL1286944 0.78 PNP (0.38) SMN1; SMN2GAAHTTCDC7PIK3CD
SCHEMBL27881956 0.76 PDE4A (0.41) HTTPIK3CD
SCHEMBL3310029 0.74 HCAR1 (0.46) BRAFCYP1A2GAACDC7DBF4
SCHEMBL11610799 0.73 DPP4 (0.44) BRAFPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL1286959 0.71 HCAR1 (0.49) SMN1; SMN2HTTMEN1KMT2APIK3CG
SCHEMBL9235123 0.71 PNP (0.47) KMT2ACDC7DBF4

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 3 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
WO-1996020711-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-07-11 WO disclosed