SCHEMBL16691100

SCHEMBL16691100

NCC1CCCC(n2cc(-c3ncnc4[nH]ccc34)cn2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.49
JAK1 P23458 10/20 0.49
JAK3 P52333 5/20 0.49
HDAC6 Q9UBN7 3/20 0.49
DAPK3 O43293 2/20 0.49
PAK4 O96013 2/20 0.49
ABL1 P00519 2/20 0.49
RET P07949 2/20 0.49
LTK P29376 2/20 0.49
CSNK1A1 P48729 2/20 0.49
CLK2 P49760 2/20 0.49
TNK2 Q07912 2/20 0.49
ROCK1 Q13464 2/20 0.49
DYRK1A Q13627 2/20 0.49
IKBKE Q14164 2/20 0.49
NTRK3 Q16288 2/20 0.49
NTRK2 Q16620 2/20 0.49
LRRK2 Q5S007 2/20 0.49
TAOK1 Q7L7X3 2/20 0.49
CAMK1D Q8IU85 2/20 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
SCHEMBL101170 0.89 JAK2 (0.56) JAK2JAK1JAK3HDAC6DAPK3
SCHEMBL12251606 0.88 JAK2 (0.47) JAK2JAK1JAK3HDAC6DAPK3
SCHEMBL18522662 0.88 JAK2 (0.54) JAK2JAK1JAK3HDAC6DAPK3
SCHEMBL3377812 0.86 JAK2 (0.57) JAK2JAK1JAK3HDAC6DAPK3
SCHEMBL3376133 0.85 JAK2 (0.56) JAK2JAK1JAK3HDAC6DAPK3
Trifluoroacetic Acid SCHEMBL100833 0.82 JAK2 (0.49) JAK2JAK1JAK3HDAC6DAPK3
SCHEMBL29080511 0.81 JAK2 (0.53) JAK2JAK1JAK3HDAC6DAPK3
SCHEMBL29677302 0.79 JAK2 (0.49) JAK2JAK1JAK3HDAC6DAPK3
SCHEMBL2435332 0.78 JAK2 (0.49) JAK2JAK1JAK3HDAC6DAPK3
SCHEMBL20943726 0.78 JAK2 (0.49) JAK2JAK1JAK3HDAC6DAPK3

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-2343298-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-05-06 EP disclosed