SCHEMBL24902157

SCHEMBL24902157

CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4c3ccn4COC(=O)Cc3ccccc3Nc3c(Cl)cccc3Cl)cn2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.49
JAK1 P23458 15/20 0.49
JAK3 P52333 9/20 0.49
CIT O14578 1/20 0.49
GAK O14976 1/20 0.49
ROCK2 O75116 1/20 0.49
ULK1 O75385 1/20 0.49
PRKCB P05771 1/20 0.49
RET P07949 1/20 0.49
PRKCA P17252 1/20 0.49
PRKACA P17612 1/20 0.49
MARK3 P27448 1/20 0.49
TYK2 P29597 1/20 0.49
STAT3 P40763 1/20 0.49
CLK1 P49759 1/20 0.49
CSNK1G2 P78368 1/20 0.49
PRKCD Q05655 1/20 0.49
MAP3K1 Q13233 1/20 0.49
ROCK1 Q13464 1/20 0.49
TNK1 Q13470 1/20 0.49

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
SCHEMBL27246158 0.90 JAK2 (0.51) JAK2JAK1JAK3CITGAK
SCHEMBL24902005 0.84 JAK2 (0.49) JAK2JAK1JAK3CITGAK
SCHEMBL26610682 0.83 JAK2 (0.51) JAK2JAK1JAK3CITGAK
SCHEMBL30864364 0.83 JAK2 (0.51) JAK2JAK1JAK3CITGAK
SCHEMBL24902132 0.81 JAK2 (0.53) JAK2JAK1JAK3CITGAK
SCHEMBL24902204 0.80 JAK2 (0.51) JAK2JAK1JAK3CITGAK
SCHEMBL870570 0.80 JAK1 (0.58) JAK2JAK1JAK3CITGAK
SCHEMBL24902351 0.79 JAK2 (0.50) JAK2JAK1JAK3CITGAK
SCHEMBL24902013 0.78 JAK2 (0.47) JAK2JAK1JAK3CITGAK
SCHEMBL27200384 0.78 JAK2 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023001045-A9 EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海椿安生物医药科技有限公司 2023-10-26 WO disclosed
WO-2023001045-A1 EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海椿安生物医药科技有限公司 2023-01-26 WO disclosed