SCHEMBL3947993

SCHEMBL3947993

COCC(=O)c1ncc(F)cc1F.COCC(O)c1ncc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.31
DPP9 Q86TI2 1/20 0.31
MAPK1 P28482 1/20 0.30
AGBL2 Q5U5Z8 1/20 0.30
GRM5 P41594 1/20 0.30
CCNT1 O60563 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CDK9 P50750 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
SCHEMBL3938015 0.85 AGBL2 (0.32) AGBL2
SCHEMBL1396052 0.85 AGBL2 (0.38) DPP4DPP9AGBL2GRM5CCNT1
SCHEMBL3232383 0.76 CCNT1 (0.33) DPP4DPP9AGBL2CCNT1CCNE1
SCHEMBL3232389 0.76 CCNT1 (0.33) DPP4DPP9AGBL2CCNT1CCNE1
SCHEMBL3942053 0.72 HPGD (0.39) DPP4DPP9MAPK1AGBL2GRM5
SCHEMBL4019098 0.69 MAPK1 (0.39) MAPK1AGBL2GRM5
SCHEMBL12780425 0.69 AGBL2 (0.41) DPP4DPP9AGBL2GRM5
SCHEMBL12363473 0.68 CCNT1 (0.33) DPP4DPP9AGBL2GRM5CCNT1
SCHEMBL2161139 0.68 SYK (0.31)
SCHEMBL2161155 0.68 SYK (0.31)

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-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed