SCHEMBL3938015

SCHEMBL3938015

COCC(O)c1ncc(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.32
SYK P43405 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
HTR2A P28223 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
SCHEMBL3947993 0.85 DPP4 (0.31) AGBL2
SCHEMBL1395919 0.80 SYK (0.31) SYK
SCHEMBL2161155 0.80 SYK (0.31) SYK
SCHEMBL2161139 0.80 SYK (0.31) SYK
SCHEMBL30318587 0.79 MAPT (0.31)
Hydrochloric Acid SCHEMBL3939583 0.79 SYK (0.30) SYK
SCHEMBL3937906 0.75 APLNR (0.31) KDM4EALDH1A1KMT2A
SCHEMBL4019098 0.75 MAPK1 (0.39) AGBL2
SCHEMBL26743053 0.75 CA1 (0.43) KMT2A
SCHEMBL4198174 0.74 APLNR (0.33) AGBL2

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
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
WO-2008132502-A1 PYRAZOLYL-AMINO-SUBSTITUTED PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-06 WO disclosed