SCHEMBL19300031

SCHEMBL19300031

CCOC(=O)c1cc(C(O)OCC)n(CC(=O)c2cnn(C)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NR1H2 P55055 2/20 0.34
FAAH O00519 2/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2C9 P11712 1/20 0.33
JMJD6 Q6NYC1 2/20 0.33
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL19253483 0.85 RAB9A (0.39) KMT2AGAALMNAMEN1ALDH1A1
SCHEMBL17801148 0.84 LMNA (0.44) KMT2AGAALMNAMEN1FAAH
SCHEMBL22449668 0.76 LMNA (0.40) GRNSORT1KMT2ALMNAMEN1
SCHEMBL19253526 0.73 NPSR1 (0.39) GRNSORT1KMT2ALMNAALDH1A1
SCHEMBL22549420 0.72 LMNA (0.38) GRNSORT1KMT2ALMNAMEN1
SCHEMBL31131706 0.72 MET (0.36) GRNSORT1LMNAALDH1A1MAPT
SCHEMBL19300141 0.72 NPSR1 (0.38) GRNSORT1LMNAALDH1A1CYP2C19
SCHEMBL19253406 0.72 NPC1 (0.39) KMT2ALMNAALDH1A1MAPTCYP2C19
SCHEMBL358469 0.71 CYP2C9 (0.47) GRNSORT1LMNAALDH1A1CYP2C19
SCHEMBL28940409 0.70 GRN (0.37) GRNSORT1LMNAALDH1A1MAPT

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
WO-2017144995-A1 PYRAZOLO[1,5-A]PYRAZIN-4-YL DERIVATIVES AS JAK-INHIBITORS PFIZER INC. (US) 2017-08-31 WO disclosed