SCHEMBL16248908

SCHEMBL16248908

CC(=O)Nc1cccc(-c2cccc3nc(Nc4ccc(C(C)=O)cc4)nn23)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.63
JAK2 O60674 10/20 0.55
FYN P06241 6/20 0.53
JAK3 P52333 6/20 0.53
PTK2 Q05397 5/20 0.53
EGLN2 Q96KS0 1/20 0.52
DYRK3 O43781 1/20 0.49
CCNT1 O60563 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CDK9 P50750 1/20 0.49
CDK5 Q00535 1/20 0.49
DYRK1A Q13627 1/20 0.49
CDK5R1 Q15078 1/20 0.49
DYRK2 Q92630 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL3213779 0.93 JAK2 (0.65) JAK1JAK2FYNJAK3PTK2
SCHEMBL2145631 0.91 JAK1 (0.65) JAK1JAK2FYNJAK3PTK2
SCHEMBL3215609 0.91 JAK1 (0.60) JAK1JAK2FYNJAK3PTK2
SCHEMBL3202389 0.90 JAK1 (0.59) JAK1JAK2FYNJAK3PTK2
SCHEMBL16248928 0.86 JAK2 (0.58) JAK1JAK2JAK3PTK2
SCHEMBL16248911 0.86 JAK2 (0.56) JAK1JAK2JAK3PTK2
SCHEMBL3219907 0.84 FYN (0.60) JAK1JAK2FYNJAK3PTK2
SCHEMBL3214292 0.84 JAK1 (0.53) JAK1JAK2FYNJAK3PTK2
SCHEMBL16248910 0.84 JAK2 (0.68) JAK1JAK2FYNJAK3PTK2
SCHEMBL16248942 0.83 JAK2 (0.60) JAK1JAK2FYNJAK3PTK2

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
US-8889673-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-11-18 US disclosed