SCHEMBL24860470

SCHEMBL24860470

CCSN1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.74
JAK1 P23458 12/20 0.74
JAK3 P52333 6/20 0.74
TYK2 P29597 3/20 0.74
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
SCHEMBL22421435 0.90 JAK2 (0.71) JAK2JAK1JAK3TYK2
SCHEMBL22421430 0.88 JAK2 (0.70) JAK2JAK1JAK3TYK2
SCHEMBL22562774 0.85 JAK1 (0.74) JAK2JAK1JAK3TYK2CIT
SCHEMBL29389911 0.85 JAK2 (1.00) JAK2JAK1JAK3TYK2CIT
SCHEMBL18975895 0.85 JAK2 (1.00) JAK2JAK1JAK3TYK2CIT
SCHEMBL22421402 0.84 JAK2 (0.75) JAK2JAK1JAK3TYK2CIT
SCHEMBL18975889 0.84 JAK2 (0.75) JAK2JAK1JAK3TYK2
SCHEMBL22421394 0.84 JAK2 (0.72) JAK2JAK1JAK3TYK2CIT
SCHEMBL14331887 0.83 JAK2 (0.71) JAK2JAK1JAK3TYK2
SCHEMBL99794 0.83 JAK2 (0.71) JAK2JAK1JAK3TYK2

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
EP-3636647-B1 SOLID FORM OF AZETIDINE DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2023-01-11 EP disclosed