SCHEMBL22805932

SCHEMBL22805932

FC(F)c1c(Cl)cc(Br)c2cn[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 4/20 0.36
▸ ALOX15 P16050 1/20 0.33
▸ PTPN6 P29350 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ METAP2 P50579 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31

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
SCHEMBL29366774 1.00 NOS1 (0.36) NOS1ALOX15PTPN6AXLMETAP2
SCHEMBL22806465 0.89 NOS1 (0.35) NOS1ALOX15AXLMETAP2IDO1
SCHEMBL29363726 0.89 NOS1 (0.35) NOS1ALOX15AXLMETAP2IDO1
SCHEMBL30975376 0.72 NOS1 (0.34) NOS1ALOX15PTPN6AXLMETAP2
SCHEMBL22489490 0.72 NOS1 (0.38) NOS1ALOX15PTPN6AXLMETAP2
SCHEMBL19995841 0.72 NOS1 (0.38) NOS1ALOX15PTPN6AXLMETAP2
SCHEMBL30641268 0.72 NOS1 (0.34) NOS1ALOX15PTPN6AXLMETAP2
SCHEMBL22804796 0.72 NOS1 (0.40) NOS1ALOX15AXLMETAP2IDO1
SCHEMBL29366451 0.72 NOS1 (0.40) NOS1ALOX15AXLMETAP2IDO1
SCHEMBL29860402 0.69 NOS1 (0.46) NOS1ALOX15PTPN6AXLMETAP2

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-3986896-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-04-27 — — EP disclosed
WO-2020254572-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2020-12-24 — — WO disclosed
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