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SCHEMBL2446023

SCHEMBL2446023

CN(C)C(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1.O=CCN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(NC3CCCCC3)c2C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.36
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ FPR1 P21462 1/20 0.31
▸ JAK3 P52333 2/20 0.31
▸ BTK Q06187 1/20 0.31
▸ IMPDH2 P12268 2/20 0.31
▸ EGFR P00533 1/20 0.31
▸ ITK Q08881 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
SCHEMBL2446022 0.92 CREBBP (0.42) SYKBRD4CREBBPFPR1JAK3
SCHEMBL2446711 0.86 CREBBP (0.42) SYKBRD4CREBBPIMPDH2
SCHEMBL2450616 0.85 BRD4 (0.35) SYKBRD4CREBBPJAK3IMPDH2
SCHEMBL2451068 0.82 SYK (0.47) SYKBRD4CREBBPJAK3
SCHEMBL2450149 0.81 CREBBP (0.43) SYKBRD4CREBBPIMPDH2
SCHEMBL2446331 0.80 CREBBP (0.41) SYKBRD4CREBBPIMPDH2
SCHEMBL2450613 0.80 CREBBP (0.51) BRD4CREBBPIMPDH2
SCHEMBL3136142 0.80 IMPDH2 (0.32) IMPDH2EGFRITK
SCHEMBL2446785 0.79 CREBBP (0.37) SYKBRD4CREBBPIMPDH2
SCHEMBL2446856 0.79 BRD4 (0.36) SYKBRD4CREBBPJAK3IMPDH2

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