SCHEMBL2449940

SCHEMBL2449940

CN(Cc1ccccc1CO)c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CN(CC=O)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
IMPDH2 P12268 5/20 0.34
TRPV1 Q8NER1 1/20 0.34
ROCK2 O75116 3/20 0.33
SYK P43405 2/20 0.32
PORCN Q9H237 1/20 0.31
JAK3 P52333 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
PDE10A Q9Y233 3/20 0.31
PDE5A O76074 1/20 0.31
PDE6A P16499 1/20 0.31
PDE4A P27815 1/20 0.31
HTR7 P34969 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31

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
SCHEMBL2447624 0.87 PDE10A (0.39) BRD4CREBBPIMPDH2TRPV1SYK
SCHEMBL2444491 0.87 TRPV1 (0.37) BRD4CREBBPIMPDH2TRPV1ROCK2
SCHEMBL2449938 0.87 CREBBP (0.50) BRD4CREBBPROCK2PDE10APDE5A
SCHEMBL2453297 0.85 BRD4 (0.35) BRD4CREBBPIMPDH2TRPV1ROCK2
SCHEMBL2449771 0.83 BRD4 (0.34) BRD4CREBBPIMPDH2TRPV1ROCK2
SCHEMBL2450616 0.83 BRD4 (0.35) BRD4CREBBPIMPDH2TRPV1ROCK2
SCHEMBL2447307 0.81 BRD4 (0.36) BRD4CREBBPIMPDH2TRPV1ROCK2
SCHEMBL2449074 0.81 BRD4 (0.41) BRD4CREBBPIMPDH2TRPV1ROCK2
SCHEMBL2446677 0.80 GSK3B (0.36) BRD4CREBBPIMPDH2TRPV1ROCK2
SCHEMBL2451710 0.80 BRD4 (0.35) BRD4CREBBPIMPDH2TRPV1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP claimed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO claimed
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO disclosed