SCHEMBL3835674

SCHEMBL3835674

CC(C)Oc1cc(-c2cc3cc(C=O)ccc3n2C(=O)OC(C)(C)C)c2c(c1Cl)CNC2=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
ATR Q13535 2/20 0.31
ATRIP Q8WXE1 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL3050289 0.89 BRD4 (0.38) NR1H2BRD4CREBBPATRATRIP
SCHEMBL3051063 0.87 BRD4 (0.37) NR1H2BRD4CREBBPATRATRIP
SCHEMBL3046227 0.85 NR1H2 (0.38) NR1H2BRD4CREBBPATRATRIP
SCHEMBL3043890 0.84 BRD4 (0.38) NR1H2BRD4CREBBPATRATRIP
SCHEMBL3040861 0.83 ATR (0.34) NR1H2BRD4CREBBPATRATRIP
SCHEMBL3044207 0.83 NR1H2 (0.38) NR1H2BRD4CREBBPATRATRIP
SCHEMBL3837222 0.82 NR1H2 (0.34) NR1H2ATRATRIP
SCHEMBL3041655 0.82 NR1H2 (0.38) NR1H2BRD4CREBBPATRATRIP
SCHEMBL3048395 0.80 NR1H2 (0.37) NR1H2BRD4CREBBPATRATRIP
SCHEMBL3034057 0.80 NR1H2 (0.35) NR1H2BRD4CREBBPATRATRIP

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