SCHEMBL2446785

SCHEMBL2446785

CCCN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1.O=C(C1CC1)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1.O=CCCN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.37
BRD4 O60885 1/20 0.37
WNT1 P04628 2/20 0.32
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32
IMPDH2 P12268 3/20 0.31
PRLHR P49683 3/20 0.31
LMNA P02545 1/20 0.31
SYK P43405 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KCNH2 Q12809 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
GRM5 P41594 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
SCHEMBL2446856 0.90 BRD4 (0.36) CREBBPBRD4IMPDH2LMNASYK
SCHEMBL2446331 0.90 CREBBP (0.41) CREBBPBRD4WNT1GSK3BDYRK1A
SCHEMBL2447398 0.88 BRD4 (0.37) CREBBPBRD4IMPDH2LMNASYK
SCHEMBL2446851 0.84 CREBBP (0.42) CREBBPBRD4IMPDH2PRLHRLMNA
SCHEMBL2450149 0.84 CREBBP (0.43) CREBBPBRD4IMPDH2PRLHRLMNA
SCHEMBL2450616 0.84 BRD4 (0.35) CREBBPBRD4WNT1GSK3BDYRK1A
SCHEMBL2450613 0.83 CREBBP (0.51) CREBBPBRD4IMPDH2PRLHRLMNA
SCHEMBL2451572 0.82 CREBBP (0.39) CREBBPBRD4WNT1GSK3BDYRK1A
SCHEMBL2445064 0.82 CREBBP (0.42) CREBBPBRD4IMPDH2PRLHRLMNA
SCHEMBL2448754 0.82 CREBBP (0.42) CREBBPBRD4IMPDH2PRLHRLMNA

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