SCHEMBL7025833

SCHEMBL7025833

Fc1cc(C(F)(F)F)ccc1-c1n[c]ncc1-c1ncc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 8/20 0.37
▸ ALOX5AP P20292 8/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ MPL P40238 1/20 0.35
▸ CYP11B2 P19099 6/20 0.33
▸ CYP11B1 P15538 5/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ FPR2 P25090 1/20 0.31

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
SCHEMBL7026082 0.85 CASP6 (0.38) —
SCHEMBL4395865 0.84 TRPV1 (0.36) MRGPRX4FPR2
SCHEMBL18988980 0.83 MPL (0.44) FEN1ALOX5APMRGPRX4MPLCYP11B2
SCHEMBL29755488 0.83 MPL (0.44) FEN1ALOX5APMRGPRX4MPLCYP11B2
SCHEMBL7020750 0.81 TRPA1 (0.38) —
SCHEMBL7844485 0.75 NISCH (0.41) —
SCHEMBL4972450 0.72 GSK3B (0.44) HSD11B1
SCHEMBL7023008 0.72 NISCH (0.43) —
SCHEMBL7024613 0.70 CSNK1A1 (0.40) —
SCHEMBL27481658 0.70 MRGPRX4 (0.43) FEN1ALOX5APMRGPRX4FPR2

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-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 — — EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 — — WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 — — EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 — — WO disclosed
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