SCHEMBL2447307

SCHEMBL2447307

CN(c1ccc(F)cc1)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
TRPV1 Q8NER1 1/20 0.35
IMPDH2 P12268 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SYK P43405 2/20 0.32
RORC P51449 1/20 0.31
JAK3 P52333 2/20 0.31
PRLHR P49683 3/20 0.31
GPR119 Q8TDV5 1/20 0.30
ROCK2 O75116 1/20 0.30
JAK2 O60674 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL2447305 0.85 CREBBP (0.53) BRD4CREBBPTRPV1KDM4ENPC1
SCHEMBL2447276 0.83 JAK3 (0.37) BRD4CREBBPTRPV1IMPDH2SYK
SCHEMBL2449074 0.83 BRD4 (0.41) BRD4CREBBPTRPV1IMPDH2KDM4E
SCHEMBL2444491 0.82 TRPV1 (0.37) BRD4CREBBPTRPV1IMPDH2SYK
SCHEMBL2451710 0.82 BRD4 (0.35) BRD4CREBBPTRPV1IMPDH2SYK
SCHEMBL2447624 0.81 PDE10A (0.39) BRD4CREBBPTRPV1IMPDH2SYK
SCHEMBL2449940 0.81 BRD4 (0.36) BRD4CREBBPTRPV1IMPDH2KDM4E
SCHEMBL2450616 0.81 BRD4 (0.35) BRD4CREBBPTRPV1IMPDH2KDM4E
SCHEMBL2453297 0.80 BRD4 (0.35) BRD4CREBBPTRPV1IMPDH2KDM4E
SCHEMBL2446677 0.80 GSK3B (0.36) BRD4CREBBPTRPV1IMPDH2SYK

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