SCHEMBL3835447

SCHEMBL3835447

CC(C)(C)OC(=O)n1c(-c2cc(O)cc3c2C(=O)NC3)cc2cc(CN3CCN(CCO[Si](C)(C)C(C)(C)C)CC3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.34
ATRIP Q8WXE1 2/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
IDO2 Q6ZQW0 1/20 0.33
NR1H2 P55055 11/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
NR1H3 Q13133 3/20 0.32
TBK1 Q9UHD2 2/20 0.32
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
GPR119 Q8TDV5 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
SCHEMBL3834957 0.92 ATR (0.38) ATRATRIPIDO1TDO2IDO2
SCHEMBL3856148 0.91 ATR (0.33) ATRATRIPIDO1TDO2IDO2
SCHEMBL3159477 0.88 ATR (0.34) ATRATRIPIDO1TDO2IDO2
SCHEMBL3147222 0.88 ATR (0.34) ATRATRIPIDO1TDO2IDO2
SCHEMBL3156013 0.84 TBK1 (0.34) ATRATRIPNR1H2TBK1GPR119
SCHEMBL3840220 0.84 ATR (0.35) ATRATRIPNR1H2NR1H3
SCHEMBL3161873 0.84 BRD4 (0.34) ATRATRIPIDO1TDO2IDO2
SCHEMBL3163875 0.84 IDO1 (0.33) ATRATRIPIDO1TDO2IDO2
SCHEMBL3839958 0.83 ATR (0.32) ATRATRIPIDO1TDO2IDO2
SCHEMBL3157538 0.82 IDO1 (0.33) ATRATRIPIDO1TDO2IDO2

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