SCHEMBL2450329

SCHEMBL2450329

CCN(CC1CCCO1)c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CN(CCO)CC2.CN(c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CN(CCO)CC2)[C@H]1CCCO1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
TNK2 Q07912 2/20 0.30
SYK P43405 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
SCHEMBL2444124 0.95 BRD4 (0.35) BRD4CREBBPTRPV1TNK2SYK
SCHEMBL2448247 0.92 BRD4 (0.37) BRD4CREBBPTRPV1SYK
SCHEMBL2450333 0.89 TNK2 (0.38) BRD4CREBBPTNK2SYK
SCHEMBL2450336 0.89 TNK2 (0.38) BRD4CREBBPTNK2SYK
SCHEMBL2446870 0.86 ROCK2 (0.36) BRD4CREBBPTRPV1TNK2SYK
SCHEMBL2450612 0.84 CREBBP (0.41) BRD4CREBBPTNK2SYK
SCHEMBL2447187 0.83 BRD4 (0.37) BRD4CREBBPTRPV1SYK
SCHEMBL2451710 0.82 BRD4 (0.35) BRD4CREBBPTRPV1SYK
SCHEMBL2447102 0.80 CREBBP (0.44) BRD4CREBBPTRPV1SYK
SCHEMBL2448242 0.79 TNK2 (0.43) TNK2SYK

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