SCHEMBL27835529

SCHEMBL27835529

N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(c2ccc(OC=O)cc2)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 20/20 0.70
▸ JAK1 P23458 10/20 0.64
▸ JAK3 P52333 10/20 0.64
▸ 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
Formic Acid Phenyl Ester SCHEMBL27835530 0.85 JAK2 (0.64) JAK2JAK1JAK3CITGAK
SCHEMBL14331978 0.83 JAK2 (1.00) JAK2JAK1JAK3CITGAK
SCHEMBL18271131 0.81 JAK2 (0.75) JAK2JAK1JAK3CITGAK
SCHEMBL18269204 0.81 JAK2 (0.78) JAK2JAK1JAK3CITGAK
SCHEMBL29541207 0.80 JAK2 (0.83) JAK2JAK1JAK3CITGAK
SCHEMBL100609 0.80 JAK2 (0.83) JAK2JAK1JAK3CITGAK
SCHEMBL18329820 0.80 JAK2 (0.74) JAK2JAK1JAK3CITGAK
SCHEMBL14331886 0.80 JAK2 (0.83) JAK2JAK1JAK3CITGAK
SCHEMBL15392917 0.80 JAK2 (0.75) JAK2JAK1JAK3CITGAK
SCHEMBL14575027 0.79 JAK2 (0.87) 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-102026999-A Azetidine and cyclobutane derivatives as JAK inhibitors INCYTE CORP 2011-04-20 — — CN claimed
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