SCHEMBL7526733

SCHEMBL7526733

N#Cc1ccc(Cn2c(=O)c3cc(Br)ccc3n3c(N4CCCCCC4)nnc23)cc1.O=c1c2cc(Br)ccc2n2c(N3CCCCCC3)nnc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.42
PIK3CA P42336 2/20 0.42
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
CNR2 P34972 2/20 0.36
SOS1 Q07889 1/20 0.35
TSHR P16473 1/20 0.35
CYP3A4 P08684 1/20 0.35
DPP4 P27487 1/20 0.35
CLPP Q16740 1/20 0.34
TP53 P04637 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL6855837 0.96 PIK3R1 (0.44) PIK3R1PIK3CALMNAMAPTL3MBTL1
SCHEMBL6854824 0.96 PIK3R1 (0.44) PIK3R1PIK3CALMNAMAPTL3MBTL1
SCHEMBL6854981 0.96 PIK3R1 (0.45) PIK3R1PIK3CALMNAMAPTL3MBTL1
SCHEMBL6850131 0.93 LMNA (0.43) LMNAMAPTL3MBTL1SOS1TSHR
SCHEMBL7002152 0.92 L3MBTL1 (0.42) LMNAMAPTL3MBTL1HRH4CYP3A4
SCHEMBL6850222 0.92 MAPT (0.44) LMNAMAPTL3MBTL1SOS1TSHR
SCHEMBL7146999 0.88 PIK3R1 (0.40) PIK3R1PIK3CALMNAMAPTCNR2
SCHEMBL7529993 0.88 PIK3R1 (0.40) PIK3R1PIK3CALMNAMAPTCNR2
SCHEMBL6850175 0.87 L3MBTL1 (0.44) LMNAMAPTL3MBTL1TSHRTP53
SCHEMBL7526734 0.87 PIK3R1 (0.35) PIK3R1PIK3CALMNAMAPTCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002022112-A9 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING A DISEASE ASSOCIATED WITH AN EXCESS OF IL-12 PRODUCTION WARNER LAMBERT CO (US) 2002-06-06 WO disclosed
EP-1188438-A1 Pharmaceutical composition for preventing or treating a disease associated with an excess of Il-12 production WARNER-LAMBERT COMPANY (US) 2002-03-20 EP disclosed