SCHEMBL3839671

SCHEMBL3839671

CC(C)Oc1cc(I)c2c(c1Cl)CNC2=O

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP3K9 P80192 1/20 0.32
MAP3K11 Q16584 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
EED O75530 1/20 0.31
RBBP4 Q09028 1/20 0.31
SUZ12 Q15022 1/20 0.31
AEBP2 Q6ZN18 1/20 0.31
NQO2 P16083 1/20 0.31
EZH2 Q15910 3/20 0.31
MDM2 Q00987 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL3047855 0.84 NQO2 (0.40) KDM4EALDH1A1HPGDHSD17B10CLK1
SCHEMBL3839674 0.78 PDE4B (0.33) KDM4EALDH1A1HPGDHSD17B10CLK1
SCHEMBL3043948 0.76 CLK1 (0.35) MAP3K9MAP3K11CLK1CLK2CLK3
SCHEMBL3039550 0.76 CLK1 (0.43) MAP3K9MAP3K11CLK1CLK2CLK3
SCHEMBL3837330 0.74 HSP90AB1 (0.33) CLK1CLK2CLK3
Hydrochloric Acid SCHEMBL3037150 0.74 PLK4 (0.35) CLK2DPP4
SCHEMBL3039661 0.73 CLK1 (0.35) MAP3K9MAP3K11ALDH1A1HPGDTSHR
SCHEMBL3837182 0.73 CLK1 (0.35) MAP3K9MAP3K11CLK1CLK2CLK3
SCHEMBL3037900 0.73 PIK3CD (0.35) MAP3K9MAP3K11CLK1CLK2CLK3
SCHEMBL15815035 0.73 KDM4E (0.36) KDM4EALDH1A1POLBHPGDTSHR

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