SCHEMBL22730721

SCHEMBL22730721

CC[C@@]1(n2cc(-c3ncnc4[nH]ccc34)cn2)C[C@H]2CN(C(=O)CC#N)C[C@H]2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.61
▸ JAK1 P23458 18/20 0.61
▸ JAK3 P52333 11/20 0.61
▸ CIT O14578 1/20 0.61
▸ GAK O14976 1/20 0.61
▸ ROCK2 O75116 1/20 0.61
▸ ULK1 O75385 1/20 0.61
▸ PRKCB P05771 1/20 0.61
▸ RET P07949 1/20 0.61
▸ PRKCA P17252 1/20 0.61
▸ PRKACA P17612 1/20 0.61
▸ MARK3 P27448 1/20 0.61
▸ TYK2 P29597 1/20 0.61
▸ STAT3 P40763 1/20 0.61
▸ CLK1 P49759 1/20 0.61
▸ CSNK1G2 P78368 1/20 0.61
▸ PRKCD Q05655 1/20 0.61
▸ MAP3K1 Q13233 1/20 0.61
▸ ROCK1 Q13464 1/20 0.61
▸ TNK1 Q13470 1/20 0.61

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
SCHEMBL22730722 1.00 JAK2 (0.61) JAK2JAK1JAK3CITGAK
SCHEMBL22730867 0.92 JAK2 (0.64) JAK2JAK1JAK3CITGAK
SCHEMBL22730853 0.92 JAK2 (0.64) JAK2JAK1JAK3CITGAK
SCHEMBL22730857 0.88 JAK2 (0.68) JAK2JAK1JAK3CITGAK
SCHEMBL22730877 0.88 JAK2 (0.68) JAK2JAK1JAK3CITGAK
SCHEMBL22730873 0.88 JAK2 (0.67) JAK2JAK1JAK3CITGAK
SCHEMBL22730856 0.88 JAK2 (0.67) JAK2JAK1JAK3CITGAK
SCHEMBL22730869 0.85 JAK1 (0.67) JAK2JAK1JAK3CITGAK
SCHEMBL22730855 0.85 JAK1 (0.67) JAK2JAK1JAK3CITGAK
SCHEMBL22730872 0.84 JAK1 (0.57) 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
WO-2020238179-A1 PYRROLOPYRIMIDINE COMPOUND AS SELECTIVE JAK2 INHIBITOR, SYNTHESIS METHOD THEREFOR AND USE THEREOF 上海勋和医药科技有限公司 2020-12-03 — — WO disclosed
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