SCHEMBL7712459

SCHEMBL7712459

Nc1ncc(Br)c(N2CCOCC2)n1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
MAPK1 P28482 1/20 0.63
TSHR P16473 1/20 0.61
ABL1 P00519 5/20 0.51
BCR P11274 5/20 0.51
PIK3CA P42336 7/20 0.49
PIK3R1 P27986 4/20 0.49
MTOR P42345 3/20 0.49
PIK3CB P42338 2/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
NOS1 P29475 1/20 0.45
DHFR P00374 1/20 0.45
RICTOR Q6R327 1/20 0.45
RPTOR Q8N122 1/20 0.45
MAPKAP1 Q9BPZ7 1/20 0.45
MLST8 Q9BVC4 1/20 0.45
PIK3CD O00329 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
SCHEMBL14541937 0.80 KDM4E (0.69) ALDH1A1TSHRPIK3CAPIK3R1MTOR
SCHEMBL23019331 0.80 PIK3CA (0.49) PIK3CAPIK3R1MTORPIK3CBKDM4E
SCHEMBL3344468 0.80 ALDH1A1 (0.63) ALDH1A1MAPK1TSHRABL1BCR
SCHEMBL18072393 0.80 PIK3CA (0.54) PIK3CAPIK3R1MTORPIK3CBKDM4E
SCHEMBL7712374 0.78 PIK3CA (0.48) MAPK1PIK3CAPIK3R1MTORPIK3CB
SCHEMBL25598894 0.76 IKBKB (0.56) ALDH1A1MAPK1TSHRPIK3CAPIK3R1
SCHEMBL20446033 0.75 ABL1 (0.46) ALDH1A1MAPK1ABL1BCRHRH4
SCHEMBL1445139 0.75 KDM4E (0.51) ALDH1A1MAPK1TSHRPIK3CAPIK3R1
SCHEMBL30366458 0.75 KDM4E (0.51) ALDH1A1MAPK1TSHRPIK3CAPIK3R1
SCHEMBL7708544 0.74 NOS1 (0.58) PIK3CAPIK3R1MTORKDM4ENOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098902-A Administering 5-bromo-4- 4-morpholinyl!-2-pyridinamine or 4- 4-morpholinyl-2- 1-piperazinyl!thieno 3,2-d!pyrimidine for cognitive activators WARNER-LAMBERT COMPANY (US) 1992-03-24 US claimed
US-5075305-A For enhancing nerve growth factor WARNER-LAMBERT COMPANY (US) 1991-12-24 US 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
US-5098902-A Administering 5-bromo-4- 4-morpholinyl!-2-pyridinamine or 4- 4-morpholinyl-2- 1-piperazinyl!thieno 3,2-d!pyrimidine for cognitive activators WARNER-LAMBERT COMPANY (US) 1992-03-24 US disclosed
US-5098902-A Administering 5-bromo-4- 4-morpholinyl!-2-pyridinamine or 4- 4-morpholinyl-2- 1-piperazinyl!thieno 3,2-d!pyrimidine for cognitive activators WARNER-LAMBERT COMPANY (US) 1992-03-24 US disclosed
US-5075305-A For enhancing nerve growth factor WARNER-LAMBERT COMPANY (US) 1991-12-24 US disclosed
US-5075305-A For enhancing nerve growth factor WARNER-LAMBERT COMPANY (US) 1991-12-24 US disclosed