SCHEMBL18599181

SCHEMBL18599181

CC1CNc2ncnc(-c3cnn(C(CC#N)c4cncc(C#N)c4)c3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.44
JAK1 P23458 8/20 0.44
JAK3 P52333 4/20 0.37
LRRK2 Q5S007 3/20 0.37
ABL1 P00519 3/20 0.37
TYK2 P29597 3/20 0.37
DAPK3 O43293 2/20 0.37
PAK4 O96013 2/20 0.37
RET P07949 2/20 0.37
LTK P29376 2/20 0.37
CSNK1A1 P48729 2/20 0.37
CLK2 P49760 2/20 0.37
TNK2 Q07912 2/20 0.37
ROCK1 Q13464 2/20 0.37
DYRK1A Q13627 2/20 0.37
IKBKE Q14164 2/20 0.37
NTRK3 Q16288 2/20 0.37
NTRK2 Q16620 2/20 0.37
TAOK1 Q7L7X3 2/20 0.37
CAMK1D Q8IU85 2/20 0.37

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
SCHEMBL10315608 0.83 JAK2 (0.61) JAK2JAK1JAK3LRRK2ABL1
SCHEMBL100050 0.76 JAK2 (0.59) JAK2JAK1JAK3LRRK2ABL1
SCHEMBL101083 0.76 JAK2 (0.59) JAK2JAK1JAK3LRRK2ABL1
SCHEMBL100049 0.76 JAK2 (0.59) JAK2JAK1JAK3LRRK2ABL1
SCHEMBL14500138 0.70 AURKA (0.46) JAK2JAK1JAK3LRRK2ABL1
Trifluoroacetic Acid SCHEMBL101685 0.69 TYRO3 (0.53) JAK2JAK1JAK3LRRK2ABL1
Trifluoroacetic Acid SCHEMBL99782 0.69 TYRO3 (0.53) JAK2JAK1JAK3LRRK2ABL1
Trifluoroacetic Acid SCHEMBL29540661 0.69 TYRO3 (0.53) JAK2JAK1JAK3LRRK2ABL1
SCHEMBL102328 0.69 JAK2 (0.57) JAK2JAK1JAK3LRRK2ABL1
SCHEMBL21974414 0.68 JAK2 (0.53) JAK2JAK1JAK3LRRK2ABL1

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-2348023-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed