SCHEMBL3835637

SCHEMBL3835637

CC(C)(C)OC(=O)n1c(-c2cc(-c3cccnc3F)cc3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
NR1H2 P55055 15/20 0.36
NR1H3 Q13133 4/20 0.35
TBK1 Q9UHD2 2/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL3837040 0.91 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL3835114 0.89 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL3835772 0.88 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL3839736 0.88 TTK (0.37) CLK2CLK3DYRK1ANR1H2NR1H3
SCHEMBL3841145 0.88 NR1H2 (0.43) NR1H2NR1H3
SCHEMBL3842078 0.87 NR1H2 (0.36) NR1H2NR1H3PARP1
SCHEMBL3835120 0.87 NR1H2 (0.39) NR1H2NR1H3PARP1
SCHEMBL3837852 0.87 NR1H2 (0.41) NR1H2NR1H3PARP1
SCHEMBL3835025 0.86 PARP1 (0.40) NR1H2NR1H3PARP1
SCHEMBL3835632 0.86 PARP1 (0.40) NR1H2NR1H3PARP1

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