SCHEMBL20697990

SCHEMBL20697990

COc1cc(F)c(-c2c(C)nn(C)c2-n2cnc3cc(F)ccc32)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 7/20 0.39
PDE2A O00408 1/20 0.39
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 1/20 0.37
GRM8 O00222 1/20 0.36
CYP1A2 P05177 1/20 0.36
GRM7 Q14831 1/20 0.36
GSK3B P49841 1/20 0.35
KCNH2 Q12809 1/20 0.34
HTT P42858 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL20697994 0.92 FGFR1 (0.48) FGFR1PDE2APDE10AALDH1A1MAPT
SCHEMBL20698121 0.91 FGFR1 (0.41) FGFR1PDE2APDE10AALDH1A1MAPT
SCHEMBL20697997 0.89 FGFR1 (0.40) FGFR1PDE2APDE10AALDH1A1MAPT
SCHEMBL20698301 0.89 SIK1 (0.41) FGFR1PDE2APDE10AALDH1A1MAPT
SCHEMBL20698025 0.88 FGFR1 (0.44) FGFR1PDE2APDE10AALDH1A1MAPT
SCHEMBL20698120 0.88 GRM8 (0.41) FGFR1PDE2APDE10AALDH1A1MAPT
SCHEMBL20698168 0.87 FGFR1 (0.41) FGFR1PDE2APDE10AALDH1A1MAPT
SCHEMBL20698203 0.87 FGFR1 (0.35) FGFR1ALDH1A1KDRKCNH2HTT
SCHEMBL20698162 0.86 PTGS2 (0.42) FGFR1PDE2APDE10AALDH1A1MAPT
SCHEMBL20698205 0.85 PSEN1 (0.33) FGFR1PDE2APDE10AALDH1A1MAPT

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
WO-2019020981-A1 PYRAZOLE, ISOTHIAZOLE AND ISOXAZOLE DERIVATIVES USEFUL AS AGRICULTURAL FUNGICIDES REDAG CROP PROTECTION LTD. (GB) 2019-01-31 WO disclosed