SCHEMBL12021773

SCHEMBL12021773

Cc1ncc(-c2ccc(F)c(S)c2)o1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.48
▸ CA2 P00918 4/20 0.48
▸ CA9 Q16790 4/20 0.48
▸ CA1 P00915 3/20 0.48
▸ POLB P06746 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.41
▸ HDAC4 P56524 2/20 0.39
▸ GSK3B P49841 5/20 0.37
▸ DYRK1A Q13627 5/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ ALOX5 P09917 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35

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
SCHEMBL8281254 0.83 CA12 (0.54) CA12CA2CA9CA1POLB
SCHEMBL8281998 0.81 CA12 (0.51) CA12CA2CA9CA1POLB
SCHEMBL8226801 0.81 CA12 (0.51) CA12CA2CA9CA1POLB
SCHEMBL8221285 0.79 CA12 (0.47) CA12CA2CA9CA1POLB
SCHEMBL10263007 0.75 CA12 (0.57) CA12CA2CA9CA1POLB
SCHEMBL2405220 0.74 CA12 (0.62) CA12CA2CA9CA1POLB
SCHEMBL10263073 0.73 CA12 (0.47) CA12CA2CA9CA1POLB
SCHEMBL12021736 0.72 CYP1A2 (0.44) POLBTP53MAPT
SCHEMBL7902821 0.72 CA12 (0.57) CA12CA2CA9CA1TP53
SCHEMBL10222178 0.71 CA12 (0.53) CA12CA2CA9CA1TP53

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
EP-1934227-B1 2-HETEROARYL-PYRAZOLO-[4, 3-e]-1, 2, 4-TRIAZOLO-[1,5-c]-PYRIMIDINE AS ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORP (US) 2011-12-21 — — EP disclosed
WO-2007035542-A1 2-HETEROARYL-PYRAZOLO-[4, 3-e]-1, 2, 4-TRIAZOLO-[1,5-c]-PYRIMIDINE AS ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2007-03-29 — — WO disclosed
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