SCHEMBL14294396

SCHEMBL14294396

Oc1ccc(Nc2nc(Cl)nc(Nc3ccc(O)c(F)c3)n2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 5/20 0.56
▸ CA12 O43570 5/20 0.53
▸ CA1 P00915 5/20 0.53
▸ CA2 P00918 5/20 0.53
▸ CA9 Q16790 5/20 0.53
▸ TXN P10599 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NFKB1 P19838 3/20 0.45
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ TNIK Q9UKE5 1/20 0.43

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
SCHEMBL14300020 0.97 TXN (0.54) APPCA12CA1CA2CA9
SCHEMBL14293983 0.88 RAB9A (0.53) APPCA12CA1CA2CA9
SCHEMBL14294391 0.84 RAB9A (0.62) —
SCHEMBL14302322 0.82 GALR1 (0.47) APPCA12CA1CA2CA9
SCHEMBL14300476 0.80 TNIK (0.43) APPMAPTTNIK
SCHEMBL4838360 0.79 NFKB1 (0.52) APPCA12CA1CA2CA9
SCHEMBL5033983 0.77 APP (0.60) APPCA12CA1CA2CA9
SCHEMBL14268288 0.77 NFKB1 (0.57) APPCA12CA1CA2CA9
SCHEMBL4836537 0.76 APP (0.63) APPCA12CA1CA2CA9
SCHEMBL1392126 0.76 APP (0.77) APPCA12CA1CA2CA9

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
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 — — US disclosed
US-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 — — US disclosed
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