Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28050500

CC(C)(C)OC=O.N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CNC1

nearest known ligand 0.66

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.66
▸ JAK1 P23458 17/20 0.66
▸ JAK3 P52333 14/20 0.66
▸ CIT O14578 1/20 0.64
▸ GAK O14976 1/20 0.64
▸ ROCK2 O75116 1/20 0.64
▸ ULK1 O75385 1/20 0.64
▸ PRKCB P05771 1/20 0.64
▸ RET P07949 1/20 0.64
▸ PRKCA P17252 1/20 0.64
▸ PRKACA P17612 1/20 0.64
▸ MARK3 P27448 1/20 0.64
▸ TYK2 P29597 1/20 0.64
▸ STAT3 P40763 1/20 0.64
▸ CLK1 P49759 1/20 0.64
▸ CSNK1G2 P78368 1/20 0.64
▸ PRKCD Q05655 1/20 0.64
▸ MAP3K1 Q13233 1/20 0.64
▸ ROCK1 Q13464 1/20 0.64
▸ TNK1 Q13470 1/20 0.64

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
SCHEMBL2605490 0.89 JAK2 (0.74) JAK2JAK1JAK3CITGAK
Hydrochloric Acid SCHEMBL16007893 0.88 JAK2 (0.72) JAK2JAK1JAK3CITGAK
Hydrochloric Acid SCHEMBL29395202 0.88 JAK2 (0.72) JAK2JAK1JAK3CITGAK
Formic Acid Phenyl Ester SCHEMBL27835530 0.87 JAK2 (0.64) JAK2JAK1JAK3CITGAK
SCHEMBL27835525 0.85 JAK2 (0.62) JAK2JAK1JAK3CITGAK
Trifluoroacetic Acid SCHEMBL871919 0.84 JAK2 (0.65) JAK2JAK1JAK3CITGAK
Trifluoroacetic Acid SCHEMBL870688 0.84 JAK2 (0.65) JAK2JAK1JAK3CITGAK
SCHEMBL29541207 0.81 JAK2 (0.83) JAK2JAK1JAK3CITGAK
SCHEMBL100609 0.81 JAK2 (0.83) JAK2JAK1JAK3CITGAK
SCHEMBL15392917 0.81 JAK2 (0.75) JAK2JAK1JAK3CITGAK

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
CN-105189509-A Processes and intermediates for making a JAK inhibitor INCYTE CORP 2015-12-23 — — CN disclosed
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