SCHEMBL2444491

SCHEMBL2444491

CN(Cc1cccnc1)c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CN(CC=O)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
ROCK2 O75116 3/20 0.34
IMPDH2 P12268 2/20 0.33
PDE10A Q9Y233 4/20 0.33
CFTR P13569 2/20 0.33
PDE5A O76074 1/20 0.33
PDE6A P16499 1/20 0.33
PDE4A P27815 1/20 0.33
HTR7 P34969 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
PDE11A Q9HCR9 1/20 0.33
GBA1 P04062 1/20 0.31
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
SYK P43405 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
KIT P10721 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
SCHEMBL2447624 0.88 PDE10A (0.39) TRPV1BRD4CREBBPIMPDH2PDE10A
SCHEMBL2449940 0.87 BRD4 (0.36) TRPV1BRD4CREBBPROCK2IMPDH2
SCHEMBL2444488 0.86 CREBBP (0.51) TRPV1BRD4CREBBPROCK2PDE10A
SCHEMBL2453297 0.83 BRD4 (0.35) TRPV1BRD4CREBBPROCK2IMPDH2
SCHEMBL2449771 0.83 BRD4 (0.34) TRPV1BRD4CREBBPROCK2IMPDH2
SCHEMBL2447307 0.82 BRD4 (0.36) TRPV1BRD4CREBBPROCK2IMPDH2
SCHEMBL2447276 0.82 JAK3 (0.37) TRPV1BRD4CREBBPROCK2IMPDH2
SCHEMBL2451710 0.81 BRD4 (0.35) TRPV1BRD4CREBBPROCK2IMPDH2
SCHEMBL2449074 0.80 BRD4 (0.41) TRPV1BRD4CREBBPROCK2IMPDH2
SCHEMBL2450616 0.79 BRD4 (0.35) TRPV1BRD4CREBBPROCK2IMPDH2

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