SCHEMBL20698173

SCHEMBL20698173

COc1cc(F)c(-c2c(C)nn(C)c2-n2cnc3cc(F)ccc32)c(F)c1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIK1 P57059 2/20 0.34
SIK2 Q9H0K1 2/20 0.34
SIK3 Q9Y2K2 2/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
PDE2A O00408 2/20 0.32
PDE10A Q9Y233 2/20 0.32
ADRA2B P18089 1/20 0.32
FGFR1 P11362 3/20 0.32
SRC P12931 1/20 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
SCHEMBL20698205 0.90 PSEN1 (0.33) SIK1SIK2SIK3MAPTALDH1A1
SCHEMBL20698209 0.89 FGFR1 (0.32) MAPTHPGDPSEN1PSEN2APH1B
SCHEMBL20697990 0.84 FGFR1 (0.39) MAPTALDH1A1HPGDALOX12SMN1; SMN2
SCHEMBL20697959 0.80 FGFR1 (0.41) MAPTALDH1A1HPGDSMN1; SMN2PDE2A
SCHEMBL20698203 0.79 FGFR1 (0.35) ALDH1A1HPGDFGFR1KDRKCNH2
SCHEMBL20698012 0.79 FGFR1 (0.37) MAPTALDH1A1HPGDSMN1; SMN2FGFR1
SCHEMBL20698301 0.78 SIK1 (0.41) SIK1SIK2SIK3MAPTALDH1A1
SCHEMBL20697994 0.77 FGFR1 (0.48) MAPTALDH1A1HPGDSMN1; SMN2PDE2A
SCHEMBL20698308 0.76 HSD11B1 (0.36) LMNAPDE2APDE10AFGFR1KCNH2
SCHEMBL20697928 0.75 HSD11B1 (0.41) PDE2APDE10AFGFR1KCNH2BRD4

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