SCHEMBL10327562

SCHEMBL10327562

O=C(CS)Nc1cccc(C(F)(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.49
▸ P2RX7 Q99572 1/20 0.49
▸ CLK4 Q9HAZ1 9/20 0.46
▸ ACVR1 Q04771 8/20 0.46
▸ GSK3A P49840 6/20 0.46
▸ GSK3B P49841 6/20 0.46
▸ SRPK1 Q96SB4 4/20 0.46
▸ HIPK4 Q8NE63 4/20 0.46
▸ STK3 Q13188 4/20 0.46
▸ AURKB Q96GD4 4/20 0.46
▸ MAP4K4 O95819 3/20 0.46
▸ FLT3 P36888 3/20 0.46
▸ RPS6KA3 P51812 3/20 0.46
▸ CSNK2A1 P68400 3/20 0.46
▸ PRKD3 O94806 3/20 0.46
▸ MAPKAPK2 P49137 3/20 0.46
▸ PBK Q96KB5 3/20 0.46
▸ CSNK1G3 Q9Y6M4 3/20 0.46
▸ CDK2 P24941 3/20 0.46
▸ PIM3 Q86V86 3/20 0.46

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
SCHEMBL18425134 0.84 ACVR1 (0.49) TAS2R14P2RX7CLK4ACVR1GSK3A
SCHEMBL12506975 0.84 CLK4 (0.51) TAS2R14P2RX7CLK4ACVR1GSK3A
SCHEMBL2635287 0.80 TAS2R14 (0.57) TAS2R14P2RX7CLK4ACVR1GSK3A
SCHEMBL29640129 0.79 P2RX7 (0.53) TAS2R14P2RX7CLK4ACVR1GSK3A
SCHEMBL13170010 0.79 KDM4E (0.56) TAS2R14P2RX7CLK4ACVR1GSK3A
SCHEMBL5031654 0.79 P2RX7 (0.53) TAS2R14P2RX7CLK4ACVR1GSK3A
SCHEMBL14960342 0.77 GSK3A (0.48) TAS2R14P2RX7CLK4ACVR1GSK3A
SCHEMBL29128671 0.77 CLK4 (0.53) TAS2R14P2RX7CLK4ACVR1GSK3A
SCHEMBL30233389 0.76 TAS2R14 (0.50) TAS2R14P2RX7CLK4ACVR1GSK3A
SCHEMBL7932254 0.76 GRM5 (0.48) NTRK1GRM5SMN1; SMN2

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
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
Send feedback