SCHEMBL19649880

SCHEMBL19649880

Cn1cc(Nc2ncc(F)c(N3CC4CC4C3)n2)cn1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 16/20 0.66
TYK2 P29597 15/20 0.66
JAK2 O60674 15/20 0.66
JAK3 P52333 10/20 0.66
KDR P35968 4/20 0.53
EGFR P00533 1/20 0.53
AURKB Q96GD4 3/20 0.48
ABL1 P00519 2/20 0.48
STAT3 P40763 2/20 0.48
GSK3B P49841 2/20 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
SCHEMBL24276448 0.79 TYK2 (0.55) JAK1TYK2JAK2JAK3KDR
SCHEMBL17545404 0.78 TYK2 (0.63) JAK1TYK2JAK2JAK3KDR
SCHEMBL19649844 0.78 TYK2 (0.63) JAK1TYK2JAK2JAK3KDR
Hydrochloric Acid SCHEMBL29414190 0.78 TYK2 (0.54) JAK1TYK2JAK2JAK3KDR
Hydrochloric Acid SCHEMBL17512529 0.77 TYK2 (0.62) JAK1TYK2JAK2JAK3KDR
Hydrochloric Acid SCHEMBL17512615 0.77 TYK2 (0.62) JAK1TYK2JAK2JAK3KDR
SCHEMBL22856273 0.75 JAK1 (0.64) JAK1TYK2JAK2JAK3KDR
SCHEMBL29414156 0.75 TYK2 (0.54) JAK1TYK2JAK2JAK3KDR
SCHEMBL19649881 0.75 TYK2 (0.57) JAK1TYK2JAK2JAK3KDR
SCHEMBL22567263 0.74 TYK2 (0.53) JAK1TYK2JAK2JAK3KDR

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
EP-3183247-B9 AMINOPYRIMIDINYL COMPOUNDS AS JAK INHIBITORS PFIZER (US) 2018-07-25 EP disclosed
EP-3183247-B1 AMINOPYRIMIDINYL COMPOUNDS AS JAK INHIBITORS PFIZER (US) 2017-11-29 EP disclosed