SCHEMBL2446677

SCHEMBL2446677

O=CCN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CO)C3CCCC3)c2C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.36
DYRK1A Q13627 3/20 0.36
SYK P43405 2/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
IMPDH2 P12268 4/20 0.33
TRPV1 Q8NER1 1/20 0.33
GPR119 Q8TDV5 6/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
WNT1 P04628 2/20 0.32
ROCK2 O75116 1/20 0.31
JAK3 P52333 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
SCHEMBL2447276 0.89 JAK3 (0.37) GSK3BDYRK1ASYKBRD4CREBBP
SCHEMBL2446674 0.86 CREBBP (0.51) GSK3BDYRK1ASYKBRD4CREBBP
SCHEMBL2451710 0.83 BRD4 (0.35) GSK3BDYRK1ASYKBRD4CREBBP
SCHEMBL2449074 0.82 BRD4 (0.41) GSK3BDYRK1ASYKBRD4CREBBP
SCHEMBL2451068 0.82 SYK (0.47) GSK3BSYKBRD4CREBBPTRPV1
SCHEMBL2450616 0.81 BRD4 (0.35) GSK3BDYRK1ASYKBRD4CREBBP
SCHEMBL2452760 0.81 IMPDH2 (0.43) GSK3BDYRK1ASYKBRD4CREBBP
SCHEMBL2449771 0.80 BRD4 (0.34) SYKBRD4CREBBPIMPDH2TRPV1
SCHEMBL2449940 0.80 BRD4 (0.36) SYKBRD4CREBBPIMPDH2TRPV1
SCHEMBL2447307 0.80 BRD4 (0.36) SYKBRD4CREBBPIMPDH2TRPV1

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 2 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 disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO disclosed