SCHEMBL7712374

SCHEMBL7712374

Nc1ncc(-c2ccc(Br)cc2)c(N2CCOCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.48
MTOR P42345 7/20 0.48
PIK3R1 P27986 3/20 0.48
PIK3CD O00329 3/20 0.46
PIK3CG P48736 2/20 0.46
PIK3CB P42338 2/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NOS1 P29475 1/20 0.44
DHFR P00374 1/20 0.44
RICTOR Q6R327 1/20 0.44
RPTOR Q8N122 1/20 0.44
MAPKAP1 Q9BPZ7 1/20 0.44
MLST8 Q9BVC4 1/20 0.44

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
SCHEMBL7714561 0.86 KDM4E (0.56) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL7712422 0.86 STK4 (0.54) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL7708544 0.86 NOS1 (0.58) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL7712459 0.78 ALDH1A1 (0.63) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL2558872 0.76 DHFR (0.60) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL7282145 0.73 CNR2 (0.56) PIK3CADHFR
SCHEMBL3721578 0.73 TRPM8 (0.59) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL23019331 0.72 PIK3CA (0.49) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL18072393 0.72 PIK3CA (0.54) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL14541937 0.72 KDM4E (0.69) PIK3CAMTORPIK3R1PIK3CDPIK3CG

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-1025091-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM Krenitsky Pharmaceuticals, Inc. (US) 2000-08-09 EP claimed
WO-1999019305-A2 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM KRENITSKY PHARMACEUTICALS INC. (US) 1999-04-22 WO claimed
US-6440965-B1 Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system KRENITSKY PHARMACEUTICALS, INC. 2002-08-27 US disclosed