SCHEMBL7680357

SCHEMBL7680357

COc1cc(Br)c(N(c2nc(C)nc(N3CCOCC3)n2)C(C)C)c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.72
PIK3CB P42338 5/20 0.45
MAPT P10636 4/20 0.43
PIK3CA P42336 5/20 0.41
MTOR P42345 1/20 0.41
PIK3CD O00329 5/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PIK3CG P48736 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7687384 0.84 CRHR1 (1.00) CRHR1PIK3CBMAPTPIK3CAMTOR
SCHEMBL9110881 0.82 CRHR1 (0.85) CRHR1PIK3CBMAPTPIK3CAMTOR
SCHEMBL7680790 0.79 CRHR1 (0.88) CRHR1PIK3CBMAPTPIK3CAMTOR
SCHEMBL6770041 0.69 CRHR1 (0.46) CRHR1PIK3CBPIK3CAMTORPIK3CD
SCHEMBL6775265 0.67 CRHR1 (0.51) CRHR1PIK3CBMAPTPIK3CAPIK3CD
SCHEMBL7680488 0.67 CRHR1 (0.72) CRHR1
SCHEMBL6775008 0.64 CRHR1 (0.47) CRHR1MAPTPIK3CAMTORALDH1A1
SCHEMBL12110268 0.64 KMT2A (0.56) PIK3CBMAPTPIK3CAPIK3CDALDH1A1
SCHEMBL9619196 0.64 KDM4E (0.58) PIK3CBPIK3CAMTORPIK3CDALDH1A1
SCHEMBL13029832 0.64 MAPK1 (0.65) CRHR1PIK3CBMAPTPIK3CAPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP claimed
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US disclosed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP disclosed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO disclosed