Sugi Predict

Sugi Predict / Compounds / SCHEMBL2446674

SCHEMBL2446674

SCHEMBL2446674

CC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CO)C3CCCC3)c2C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 8/20 0.51
▸ BRD4 O60885 6/20 0.51
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ SYK P43405 2/20 0.38
▸ GPR119 Q8TDV5 4/20 0.37
▸ PRLHR P49683 5/20 0.37

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
SCHEMBL2447273 0.89 CREBBP (0.53) CREBBPBRD4GSK3BDYRK1ASYK
SCHEMBL2450016 0.87 CREBBP (0.49) CREBBPBRD4SYKGPR119PRLHR
SCHEMBL2446677 0.86 GSK3B (0.36) CREBBPBRD4GSK3BDYRK1ASYK
SCHEMBL2847158 0.83 CREBBP (0.51) CREBBPBRD4GSK3BDYRK1ASYK
SCHEMBL2451064 0.81 CREBBP (0.56) CREBBPBRD4SYK
SCHEMBL2447343 0.81 CREBBP (0.51) CREBBPBRD4SYK
SCHEMBL2450613 0.81 CREBBP (0.51) CREBBPBRD4PRLHR
SCHEMBL2449067 0.81 CREBBP (0.61) CREBBPBRD4SYK
SCHEMBL2449938 0.81 CREBBP (0.50) CREBBPBRD4PRLHR
SCHEMBL2449770 0.80 CREBBP (0.49) CREBBPBRD4GPR119PRLHR

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