SCHEMBL5261866

SCHEMBL5261866

O=CCc1ccnc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 3/20 0.39
▸ IDH1 O75874 4/20 0.36
▸ IDH2 P48735 3/20 0.36
▸ GRM2 Q14416 11/20 0.32

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
SCHEMBL19583716 0.76 MALT1 (0.42) MALT1IDH1IDH2GRM2
SCHEMBL13162796 0.76 LOXL2 (0.43) MALT1IDH1IDH2GRM2
SCHEMBL3662853 0.76 MALT1 (0.42) MALT1IDH1IDH2GRM2
SCHEMBL8224424 0.76 MALT1 (0.42) MALT1IDH1IDH2GRM2
SCHEMBL8171795 0.76 IDH1 (0.42) MALT1IDH1IDH2GRM2
Hydrochloric Acid SCHEMBL30798663 0.74 LOXL2 (0.44) MALT1IDH1IDH2GRM2
Hydrochloric Acid SCHEMBL20815622 0.74 MALT1 (0.41) MALT1IDH1IDH2GRM2
Hydrochloric Acid SCHEMBL30813051 0.74 MALT1 (0.41) MALT1IDH1IDH2GRM2
SCHEMBL17665630 0.74 MALT1 (0.38) MALT1GRM2
SCHEMBL8225228 0.73 IDH1 (0.40) MALT1IDH1IDH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906544-A1 SUBSTITUTED PHENYLCARBAMATE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-08-19 — — EP disclosed
WO-2014056958-A1 SUBSTITUTED PHENYLCARBAMATE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 — — WO disclosed
EP-1786803-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 — — EP disclosed
WO-2006026305-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC (US) 2006-03-09 — — WO disclosed
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