SCHEMBL2453366

SCHEMBL2453366

CC(=O)N1CCc2nc(Nc3ccc(-n4ccnc4C)cc3)nc(CCC3CCCCC3)c2C1.CC(=O)N1CCc2nc(Nc3ccc(-n4ccnc4C)cc3)nc(Cc3ccc(C)cc3)c2C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.36
CREBBP Q92793 13/20 0.35
EP300 Q09472 3/20 0.35
BRD4 O60885 10/20 0.35
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
CCND2 P30279 2/20 0.35
CCND3 P30281 2/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
ROCK2 O75116 1/20 0.32
NR3C2 P08235 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KCNH2 Q12809 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
SCHEMBL2447366 0.94 SYK (0.40) SYKCREBBPEP300BRD4CDK4
SCHEMBL2447045 0.91 CREBBP (0.41) SYKCREBBPEP300BRD4CDK4
SCHEMBL2477781 0.88 SYK (0.40) SYKCREBBPBRD4CDK4CCND1
SCHEMBL2448058 0.85 GPBAR1 (0.37) SYKCREBBPEP300BRD4GPBAR1
SCHEMBL8904900 0.85 MAPT (0.44) SYKCDK4CCND1CCND2CCND3
SCHEMBL2451543 0.83 SYK (0.41) SYKCREBBPBRD4CDK4CCND1
SCHEMBL2479399 0.82 SYK (0.37) SYKBRD4CDK4CCND1CCND2
SCHEMBL8905497 0.82 MAPT (0.46) CDK4CCND1CCND2CCND3GPBAR1
SCHEMBL2447812 0.81 LRRK2 (0.40) SYKCREBBPEP300BRD4CDK4
SCHEMBL2480088 0.81 SYK (0.37) SYKCDK4CCND1CCND2CCND3

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