SCHEMBL7529993

SCHEMBL7529993

COc1ccc(Cn2c(=O)c3cc(Br)ccc3n3c(N4CCCCCC4)nnc23)cc1OC.N#Cc1ccc(Cn2c(=O)c3cc(Br)ccc3n3c(N4CCCCCC4)nnc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.40
PIK3CA P42336 2/20 0.40
PDE5A O76074 5/20 0.39
PDE7A Q13946 2/20 0.37
PDE7B Q9NP56 2/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
DPP4 P27487 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 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
SCHEMBL7146999 1.00 PIK3R1 (0.40) PIK3R1PIK3CAPDE5APDE7APDE7B
SCHEMBL6854129 0.93 MAPT (0.41) PDE7APDE7BALDH1A1MAPTLMNA
SCHEMBL6855972 0.93 MAPT (0.41) PDE7APDE7BALDH1A1MAPTLMNA
SCHEMBL6854057 0.92 MAPT (0.42) PDE7APDE7BALDH1A1MAPTLMNA
SCHEMBL6854824 0.91 PIK3R1 (0.44) PIK3R1PIK3CAALDH1A1MAPTLMNA
SCHEMBL6855837 0.91 PIK3R1 (0.44) PIK3R1PIK3CAALDH1A1MAPTLMNA
SCHEMBL6854981 0.90 PIK3R1 (0.45) PIK3R1PIK3CAALDH1A1MAPTLMNA
SCHEMBL7526733 0.88 PIK3R1 (0.42) PIK3R1PIK3CAMAPTLMNATSHR
SCHEMBL7530001 0.87 PDE7A (0.33) PIK3R1PIK3CAPDE5APDE7APDE7B
SCHEMBL6850034 0.84 MEN1 (0.42) PDE7AALDH1A1MAPTLMNATP53

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 1 patent. 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