SCHEMBL2447276

SCHEMBL2447276

CN(c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CN(CC=O)CC2)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.37
LCK P06239 2/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
SYK P43405 2/20 0.35
GPR119 Q8TDV5 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
MTOR P42345 1/20 0.33
IMPDH2 P12268 7/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL2451710 0.90 BRD4 (0.35) JAK3GSK3BDYRK1ABRD4CREBBP
SCHEMBL2446677 0.89 GSK3B (0.36) JAK3GSK3BDYRK1ABRD4CREBBP
SCHEMBL2451068 0.84 SYK (0.47) JAK3GSK3BBRD4CREBBPTRPV1
SCHEMBL2447307 0.83 BRD4 (0.36) JAK3BRD4CREBBPTRPV1SYK
SCHEMBL2444491 0.82 TRPV1 (0.37) JAK3BRD4CREBBPTRPV1SYK
SCHEMBL2447187 0.82 BRD4 (0.37) JAK3GSK3BDYRK1ABRD4CREBBP
SCHEMBL2449074 0.81 BRD4 (0.41) JAK3GSK3BDYRK1ABRD4CREBBP
SCHEMBL2447624 0.81 PDE10A (0.39) BRD4CREBBPTRPV1SYKIMPDH2
SCHEMBL2449940 0.81 BRD4 (0.36) JAK3BRD4CREBBPTRPV1SYK
SCHEMBL2453297 0.80 BRD4 (0.35) JAK3BRD4CREBBPTRPV1SYK

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