SCHEMBL24902172

SCHEMBL24902172

CC(C(=O)OCn1ccc2c(-c3cnn([C@H](CC#N)C4CCCC4)c3)ncnc21)c1ccc(CC2CCCC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.46
JAK1 P23458 8/20 0.46
JAK3 P52333 4/20 0.46
TYK2 P29597 3/20 0.46
ABL1 P00519 3/20 0.46
DAPK3 O43293 2/20 0.46
PAK4 O96013 2/20 0.46
RET P07949 2/20 0.46
LTK P29376 2/20 0.46
CSNK1A1 P48729 2/20 0.46
CLK2 P49760 2/20 0.46
TNK2 Q07912 2/20 0.46
ROCK1 Q13464 2/20 0.46
DYRK1A Q13627 2/20 0.46
IKBKE Q14164 2/20 0.46
NTRK3 Q16288 2/20 0.46
NTRK2 Q16620 2/20 0.46
LRRK2 Q5S007 2/20 0.46
TAOK1 Q7L7X3 2/20 0.46
CAMK1D Q8IU85 2/20 0.46

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
SCHEMBL27200387 1.00 JAK2 (0.46) JAK2JAK1JAK3TYK2ABL1
SCHEMBL26610418 0.94 JAK2 (0.45) JAK2JAK1JAK3TYK2ABL1
SCHEMBL30864342 0.89 JAK2 (0.49) JAK2JAK1JAK3TYK2ABL1
SCHEMBL24902082 0.89 JAK2 (0.49) JAK2JAK1JAK3TYK2ABL1
SCHEMBL24902070 0.89 JAK2 (0.49) JAK2JAK1JAK3TYK2ABL1
SCHEMBL27246134 0.89 JAK2 (0.47) JAK2JAK1JAK3TYK2ABL1
SCHEMBL24902117 0.89 JAK2 (0.48) JAK2JAK1JAK3TYK2ABL1
SCHEMBL26610798 0.89 JAK2 (0.48) JAK2JAK1JAK3TYK2ABL1
SCHEMBL27200388 0.84 JAK2 (0.46) JAK2JAK1JAK3TYK2ABL1
SCHEMBL26610797 0.83 JAK2 (0.49) JAK2JAK1JAK3TYK2ABL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4357346-A1 EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF Coval Biopharma (Shanghai) Co., Ltd. (CN) 2024-04-24 EP disclosed
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