SCHEMBL2105860

SCHEMBL2105860

Cc1cnc(N)c(N)c1N[C@H]1CCCC[C@H]1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
ALDH1A1 P00352 1/20 0.36
S1PR1 P21453 1/20 0.36
TAS1R3 Q7RTX0 6/20 0.35
TAS1R1 Q7RTX1 6/20 0.35
TAS1R2 Q8TE23 5/20 0.35
CD38 P28907 2/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GBA1 P04062 1/20 0.32
LATS1 O95835 2/20 0.31
LATS2 Q9NRM7 2/20 0.31

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
SCHEMBL2105823 0.80 HTT (0.43) JAK3JAK2JAK1ALDH1A1S1PR1
SCHEMBL9923111 0.70 TAS1R3 (0.37) JAK3JAK2JAK1ALDH1A1S1PR1
SCHEMBL9923308 0.67 TAS1R3 (0.37) JAK3JAK2JAK1ALDH1A1S1PR1
SCHEMBL4069377 0.67 JAK3 (0.46) JAK3JAK2JAK1ALDH1A1S1PR1
SCHEMBL15946691 0.67 GBA1 (0.38) JAK3JAK2JAK1ALDH1A1TAS1R3
SCHEMBL9923421 0.66 TSHR (0.38) JAK3JAK2JAK1ALDH1A1S1PR1
SCHEMBL9923408 0.66 TSHR (0.40) JAK3JAK2JAK1ALDH1A1S1PR1
SCHEMBL16243176 0.66 INSR (0.39) JAK2JAK1ALDH1A1
SCHEMBL9920352 0.66 JAK2 (0.46) JAK3JAK2JAK1TSHR
SCHEMBL21138781 0.65 CD38 (0.42) JAK3JAK2JAK1ALDH1A1S1PR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
EP-2251341-A1 Heterocyclic Janus kinase 3 inhibitors Astellas Pharma Inc. (JP) 2010-11-17 EP disclosed