SCHEMBL5652869

SCHEMBL5652869

Nc1ccc(NCc2cc(Cl)cc(Cl)c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
GFER P55789 1/20 0.42
HIF1A Q16665 1/20 0.42
MAP4K4 O95819 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CLK4 Q9HAZ1 2/20 0.40
DYRK1A Q13627 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL20731983 0.86 FYN (0.59) FYNMAP4K4
SCHEMBL5648300 0.81 CLK4 (0.47) FYNMAPTALDH1A1NPC1GAA
SCHEMBL29996542 0.79 KDM4E (0.55) MAPTALDH1A1NPC1GAARAB9A
SCHEMBL7231916 0.78 FABP1 (0.58) FYNALDH1A1MEN1HPGDKMT2A
SCHEMBL5653224 0.75 GPR55 (0.57) FYNALDH1A1GAAMEN1HPGD
SCHEMBL29973647 0.75 GPR55 (0.57) FYNALDH1A1GAAMEN1HPGD
SCHEMBL20731182 0.73 MEN1 (0.55) ALDH1A1MEN1HPGDKMT2ACLK4
SCHEMBL30639140 0.73 HRH4 (0.45) ALDH1A1HPGDPOLB
SCHEMBL11264344 0.73 PTGS1 (0.40)
SCHEMBL11252790 0.73 HRH4 (0.45) ALDH1A1HPGDPOLB

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
US-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed