SCHEMBL7844668

SCHEMBL7844668

CCOC(=O)CNCC1CCN(c2cc(Nc3ccc(F)c(Cl)c3)ncn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.42
ERBB2 P04626 4/20 0.42
MALT1 Q9UDY8 3/20 0.42
MAPT P10636 1/20 0.42
SCN9A Q15858 1/20 0.41
GALR2 O43603 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7851258 0.92 EGFR (0.44) EGFRERBB2MALT1MAPTSCN9A
SCHEMBL7853206 0.89 EGFR (0.54) EGFRMAPTSCN9ALMNA
SCHEMBL7852078 0.88 MALT1 (0.45) EGFRERBB2MALT1MAPTSCN9A
SCHEMBL7854805 0.87 EGFR (0.49) EGFRERBB2MALT1MAPTSCN9A
SCHEMBL7855000 0.86 EGFR (0.43) EGFRERBB2MALT1MAPTSCN9A
SCHEMBL7855761 0.85 ALDH1A1 (0.46) EGFRERBB2MALT1MAPTSCN9A
SCHEMBL7855449 0.84 EGFR (0.46) EGFRERBB2MAPTSCN9AGALR2
SCHEMBL7854183 0.82 EGFR (0.43) EGFRERBB2MALT1MAPTSCN9A
SCHEMBL7851944 0.81 EGFR (0.49) EGFRERBB2MALT1MAPTSCN9A
SCHEMBL7689854 0.80 EGFR (0.45) EGFRERBB2MALT1MAPTSCN9A

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-1163242-A2 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM Boehringer Ingelheim Pharma KG (DE) 2001-12-19 EP disclosed
WO-2000055162-A2 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 WO disclosed