SCHEMBL4973249

SCHEMBL4973249

OCCc1ncc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.41
SLC40A1 Q9NP59 3/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
ADORA2A P29274 1/20 0.30

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
SCHEMBL134813 0.83 AGBL2 (0.43) AGBL2ADORA2A
SCHEMBL29941432 0.83 AGBL2 (0.43) AGBL2ADORA2A
SCHEMBL29877399 0.81 AGBL2 (0.38) AGBL2ADORA2A
SCHEMBL1396051 0.81 AGBL2 (0.38) AGBL2ADORA2A
SCHEMBL17512545 0.80 TKT (0.30)
Hydrochloric Acid SCHEMBL1396013 0.79 TDP1 (0.37) AGBL2
Hydrochloric Acid SCHEMBL3233626 0.79 TDP1 (0.37) AGBL2
SCHEMBL30519756 0.79 AGBL2 (0.41) AGBL2ADORA2A
SCHEMBL10115987 0.79 AGBL2 (0.41) AGBL2ADORA2A
SCHEMBL29475250 0.79 AGBL2 (0.41) AGBL2ADORA2A

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-2008132502-A1 PYRAZOLYL-AMINO-SUBSTITUTED PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-06 WO disclosed