SCHEMBL31337220

SCHEMBL31337220

COC(=O)Nc1ccc(-n2cnc3c(C)cc(-c4nccn4-c4ccc(F)cc4)cc32)cn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 4/20 0.37
▸ TTK P33981 2/20 0.36
▸ GRIN2B Q13224 3/20 0.35
▸ ATM Q13315 2/20 0.34
▸ FGFR1 P11362 2/20 0.34
▸ PIK3C3 Q8NEB9 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ DEGS1 O15121 1/20 0.33
▸ WNT3A P56704 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
SCHEMBL31337312 0.89 TTK (0.34) TTKGRIN2B
SCHEMBL31337309 0.88 GRM5 (0.37) GRM5TTKGRIN2BATMFGFR1
SCHEMBL31337430 0.85 GRM5 (0.36) GRM5TTKGRIN2BATMFGFR1
SCHEMBL31337104 0.85 GRM5 (0.42) GRM5TTKGRIN2BFGFR1
SCHEMBL31337168 0.80 GRIN2B (0.34) GRM5TTKGRIN2BATMPIK3C3
SCHEMBL31337177 0.79 GRIN2B (0.36) GRM5GRIN2B
SCHEMBL27473202 0.78 TTK (0.37) TTKFGFR1SMN1; SMN2
SCHEMBL31337213 0.77 TUBB4A (0.38) TTKGRIN2B
SCHEMBL31337109 0.77 OXTR (0.37) GRM5TTKGRIN2B
SCHEMBL31337239 0.77 GRIN2B (0.33) TTKGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747241-A1 BENZIMIDAZOLE DERIVATIVES Syngenta Crop Protection AG (CH) 2026-05-27 — — EP disclosed
WO-2025021537-A1 BENZIMIDAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2025-01-30 — — WO disclosed
Send feedback