SCHEMBL24053685

SCHEMBL24053685

NCC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.75
JAK1 P23458 11/20 0.75
JAK3 P52333 5/20 0.75
TYK2 P29597 3/20 0.75
HDAC6 Q9UBN7 3/20 0.75
DAPK3 O43293 2/20 0.75
PAK4 O96013 2/20 0.75
ABL1 P00519 2/20 0.75
RET P07949 2/20 0.75
LTK P29376 2/20 0.75
CSNK1A1 P48729 2/20 0.75
CLK2 P49760 2/20 0.75
TNK2 Q07912 2/20 0.75
ROCK1 Q13464 2/20 0.75
DYRK1A Q13627 2/20 0.75
IKBKE Q14164 2/20 0.75
NTRK3 Q16288 2/20 0.75
NTRK2 Q16620 2/20 0.75
LRRK2 Q5S007 2/20 0.75
TAOK1 Q7L7X3 2/20 0.75

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
SCHEMBL101864 0.91 JAK2 (0.74) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL101797 0.90 JAK2 (0.73) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL10315628 0.90 JAK2 (0.73) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL24767659 0.89 JAK2 (0.72) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL16218910 0.89 JAK2 (0.77) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL100309 0.89 JAK2 (0.77) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL24767657 0.88 JAK2 (0.70) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL18896326 0.88 JAK2 (0.70) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL23996121 0.88 JAK2 (0.82) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL19592337 0.88 JAK2 (0.70) JAK2JAK1JAK3TYK2HDAC6

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-2021236139-A1 NOVEL DEUTERATED JAK INHIBITOR AND USES THEREOF CONCERT PHARMACEUTICALS, INC. (US) 2021-11-25 WO disclosed