SCHEMBL3835677

SCHEMBL3835677

CN(C)Cc1cc(-c2cc3cc(CN4CCCCC4)ccc3n2C(=O)OC(C)(C)C)c2c(c1OS(C)(=O)=O)CNC2=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.32
NR1H3 Q13133 2/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 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
SCHEMBL3837023 0.93 NR1H2 (0.32) NR1H2NR1H3
SCHEMBL3034067 0.91 NR1H2 (0.32) NR1H2NR1H3BRD4CREBBP
SCHEMBL3043957 0.90 NR1H2 (0.33) NR1H2NR1H3BRD4CREBBP
SCHEMBL3835072 0.89 NR1H2 (0.34) NR1H2NR1H3BRD4CREBBP
SCHEMBL5049617 0.89 POLB (0.34) NR1H2
SCHEMBL3045802 0.88 NR1H2 (0.34) NR1H2
SCHEMBL3039600 0.86 NR1H2 (0.34) NR1H2NR1H3BRD4CREBBP
SCHEMBL3033635 0.86 NR1H2 (0.33) NR1H2NR1H3BRD4CREBBP
SCHEMBL3048132 0.86 NR1H2 (0.35) NR1H2NR1H3BRD4CREBBP
SCHEMBL3050701 0.85 NR1H2 (0.35) NR1H2NR1H3BRD4CREBBP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed