SCHEMBL2451409

SCHEMBL2451409

CCOC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1.CCS(=O)(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1.COC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.37
BRD4 O60885 1/20 0.37
GPR119 Q8TDV5 7/20 0.36
PRLHR P49683 2/20 0.34
IMPDH2 P12268 3/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KCNH2 Q12809 1/20 0.32
PDE10A Q9Y233 2/20 0.31
MTOR P42345 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FPR1 P21462 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
SCHEMBL2450717 0.93 CREBBP (0.41) CREBBPBRD4GPR119PRLHRIMPDH2
SCHEMBL2445064 0.92 CREBBP (0.42) CREBBPBRD4GPR119PRLHRIMPDH2
SCHEMBL2444397 0.91 BRD4 (0.36) CREBBPBRD4IMPDH2PDE10AALDH1A1
SCHEMBL2447141 0.86 CREBBP (0.41) CREBBPBRD4GPR119PRLHRIMPDH2
SCHEMBL2450465 0.86 PDE10A (0.37) CREBBPBRD4IMPDH2PDE10AMTOR
SCHEMBL2844520 0.85 MAPT (0.42) CREBBPBRD4GPR119PRLHRPDE10A
SCHEMBL2446851 0.85 CREBBP (0.42) CREBBPBRD4PRLHRIMPDH2CYP3A4
SCHEMBL2450613 0.85 CREBBP (0.51) CREBBPBRD4PRLHRIMPDH2PDE10A
SCHEMBL2450149 0.85 CREBBP (0.43) CREBBPBRD4GPR119PRLHRIMPDH2
SCHEMBL2452689 0.84 CREBBP (0.38) CREBBPBRD4PRLHRIMPDH2PDE10A

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