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SCHEMBL2446022

SCHEMBL2446022

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 7/20 0.42
▸ BRD4 O60885 6/20 0.42
▸ SYK P43405 9/20 0.38
▸ FPR1 P21462 1/20 0.33
▸ JAK3 P52333 2/20 0.32
▸ BTK Q06187 1/20 0.32
▸ MERTK Q12866 1/20 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
SCHEMBL2446023 0.92 SYK (0.36) CREBBPBRD4SYKFPR1JAK3
SCHEMBL2446711 0.89 CREBBP (0.42) CREBBPBRD4SYK
SCHEMBL2450613 0.88 CREBBP (0.51) CREBBPBRD4
SCHEMBL2451064 0.84 CREBBP (0.56) CREBBPBRD4SYK
SCHEMBL2446331 0.83 CREBBP (0.41) CREBBPBRD4SYK
SCHEMBL2450149 0.82 CREBBP (0.43) CREBBPBRD4SYK
SCHEMBL2450583 0.81 CREBBP (0.41) CREBBPBRD4JAK3
SCHEMBL2840310 0.81 CREBBP (0.41) CREBBPBRD4SYK
SCHEMBL2445562 0.81 CREBBP (0.41) CREBBPBRD4SYK
SCHEMBL2446851 0.81 CREBBP (0.42) CREBBPBRD4SYKJAK3

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