SCHEMBL30743510

SCHEMBL30743510

C[Si](C)(C)CCOCn1c(Br)c(-c2ccccc2)c2ncccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 9/20 0.40
▸ NPC1 O15118 1/20 0.37
▸ DGAT1 O75907 1/20 0.34
▸ PDE4A P27815 3/20 0.33
▸ MAPT P10636 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ EGFR P00533 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ FLT4 P35916 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ EPHB4 P54760 1/20 0.31
▸ TEK Q02763 1/20 0.31
▸ F11 P03951 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ SLC11A2 P49281 1/20 0.30

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
SCHEMBL30743515 0.82 DGAT1 (0.36) MAPK14NPC1DGAT1MAPT
SCHEMBL30743482 0.81 RAF1 (0.36) NPC1DGAT1EGFRIGF1RSRC
SCHEMBL31716596 0.71 NPC1 (0.36) MAPK14NPC1MAPTKDM4E
SCHEMBL16497632 0.70 DGAT1 (0.41) NPC1DGAT1MAPTF11KDM4E
SCHEMBL4839289 0.70 F11 (0.39) NPC1DGAT1MAPTF11KDM4E
SCHEMBL67447 0.70 DGAT1 (0.40) NPC1DGAT1MAPTF11KDM4E
SCHEMBL4414861 0.70 NPC1 (0.35) NPC1DGAT1
SCHEMBL6486659 0.69 NTRK1 (0.51) NPC1MAPTF11KDM4E
SCHEMBL31710910 0.69 NPC1 (0.37) NPC1EGFRIGF1RSRCFLT4
SCHEMBL31423221 0.69 TSHR (0.41) NPC1DGAT1KDM4E

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-4565584-A1 1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVES AS IRREVERSIBLE INHIBITORS OF MUTANT EGFR FOR THE TREATMENT OF CANCER Bayer Aktiengesellschaft (DE) 2025-06-11 — — EP disclosed
WO-2024028316-A1 1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVES AS IRREVERSIBLE INHIBITORS OF MUTANT EGFR FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2024-02-08 — — WO disclosed
Send feedback