SCHEMBL20184461

SCHEMBL20184461

O=C(O)c1c[nH]c2ncnc(-c3ccccc3F)c12

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.69
JAK2 O60674 11/20 0.69
STK4 Q13043 1/20 0.44
STK3 Q13188 1/20 0.44
LRRK2 Q5S007 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
BTK Q06187 1/20 0.41
ROCK2 O75116 1/20 0.41
LIMK1 P53667 1/20 0.41

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
SCHEMBL20184579 0.85 JAK2 (0.52) JAK3JAK2LRRK2KDM4EMEN1
SCHEMBL20184540 0.84 JAK2 (0.51) JAK3JAK2LRRK2KDM4EMEN1
SCHEMBL20184436 0.84 JAK3 (0.57) JAK3JAK2STK4STK3BTK
SCHEMBL20184678 0.84 JAK3 (0.51) JAK3JAK2LRRK2
SCHEMBL15032689 0.82 JAK3 (1.00) JAK3JAK2
SCHEMBL20184432 0.82 JAK3 (0.68) JAK3JAK2ROCK2LIMK1
SCHEMBL20184454 0.80 JAK3 (0.70) JAK3JAK2ROCK2LIMK1
SCHEMBL20184686 0.78 JAK3 (0.55) JAK3JAK2ROCK2LIMK1
SCHEMBL29665046 0.77 JAK2 (0.55) JAK3JAK2STK4STK3LRRK2
SCHEMBL20184458 0.77 JAK3 (0.71) JAK3JAK2ROCK2LIMK1

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-2788000-B1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-05-30 EP claimed