SCHEMBL3840197

SCHEMBL3840197

CC(C)(C)OC(=O)n1c(-c2cc(C=O)cc3c2C(=O)NC3)cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
CREBBP Q92793 1/20 0.47
NR1H2 P55055 18/20 0.47
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
NR1H3 Q13133 3/20 0.43

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
SCHEMBL5330620 0.85 BRD4 (0.55) BRD4CREBBPNR1H2CA12CA9
SCHEMBL3834970 0.84 BRD4 (0.46) BRD4CREBBPNR1H2CA12CA9
SCHEMBL3837235 0.83 NR1H2 (0.35) BRD4CREBBPNR1H2NR1H3
SCHEMBL3839418 0.80 NR1H2 (0.35) BRD4CREBBPNR1H2NR1H3
SCHEMBL3034386 0.77 BRD4 (0.51) BRD4CREBBPNR1H2CA12CA9
SCHEMBL5327142 0.77 NR1H2 (0.51) BRD4CREBBPNR1H2NR1H3
SCHEMBL18003246 0.76 NR1H2 (0.59) NR1H2CA12CA9NR1H3
SCHEMBL5327530 0.76 AURKA (0.48) BRD4CREBBPNR1H2CA12CA9
SCHEMBL3856349 0.75 NR1H2 (0.35) BRD4CREBBPNR1H2NR1H3
SCHEMBL3044207 0.75 NR1H2 (0.38) BRD4CREBBPNR1H2CA12CA9

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