SCHEMBL22730717

SCHEMBL22730717

CC(C)N1C[C@@H]2C[C@@](CN)(n3cc(-c4ncnc5[nH]ccc45)cn3)C[C@@H]2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.54
JAK2 O60674 19/20 0.54
JAK3 P52333 14/20 0.54
TYK2 P29597 2/20 0.54
CIT O14578 1/20 0.54
GAK O14976 1/20 0.54
ROCK2 O75116 1/20 0.54
ULK1 O75385 1/20 0.54
PRKCB P05771 1/20 0.54
RET P07949 1/20 0.54
PRKCA P17252 1/20 0.54
PRKACA P17612 1/20 0.54
MARK3 P27448 1/20 0.54
STAT3 P40763 1/20 0.54
CLK1 P49759 1/20 0.54
CSNK1G2 P78368 1/20 0.54
PRKCD Q05655 1/20 0.54
MAP3K1 Q13233 1/20 0.54
ROCK1 Q13464 1/20 0.54
TNK1 Q13470 1/20 0.54

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
SCHEMBL22730912 0.89 JAK2 (0.67) JAK1JAK2JAK3TYK2CIT
SCHEMBL22730913 0.89 JAK2 (0.67) JAK1JAK2JAK3TYK2CIT
SCHEMBL13692728 0.86 JAK1 (0.56) JAK1JAK2JAK3TYK2CIT
SCHEMBL13692678 0.84 JAK1 (0.56) JAK1JAK2JAK3TYK2CIT
SCHEMBL13692661 0.84 JAK1 (0.56) JAK1JAK2JAK3TYK2CIT
SCHEMBL22730872 0.83 JAK1 (0.57) JAK1JAK2JAK3TYK2CIT
SCHEMBL13692725 0.83 JAK1 (0.53) JAK1JAK2JAK3TYK2CIT
SCHEMBL13692723 0.82 JAK1 (0.54) JAK1JAK2JAK3TYK2CIT
SCHEMBL13692576 0.82 JAK1 (0.55) JAK1JAK2JAK3TYK2CIT
SCHEMBL13692655 0.81 JAK2 (0.60) JAK1JAK2JAK3TYK2CIT

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