SCHEMBL22766411

SCHEMBL22766411

O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2cc(F)c(Oc3ccnc4cc(Br)ccc34)cc2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 17/20 0.61
▸ MET P08581 14/20 0.61
▸ KDR P35968 4/20 0.61
▸ MERTK Q12866 11/20 0.60
▸ NTRK1 P04629 2/20 0.59
▸ TEK Q02763 2/20 0.59
▸ NTRK3 Q16288 1/20 0.59
▸ NTRK2 Q16620 1/20 0.59
▸ RET P07949 2/20 0.56
▸ KIT P10721 2/20 0.56
▸ FLT3 P36888 2/20 0.56
▸ FLT1 P17948 2/20 0.56
▸ AURKB Q96GD4 2/20 0.56
▸ AURKA O14965 1/20 0.56
▸ RIPK2 O43353 1/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ ABL1 P00519 1/20 0.56
▸ EGFR P00533 1/20 0.56
▸ ERBB2 P04626 1/20 0.56
▸ LCK P06239 1/20 0.56

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
SCHEMBL22766339 0.90 MET (0.74) AXLMETKDRMERTKNTRK1
SCHEMBL21218002 0.87 AXL (0.78) AXLMETKDRMERTKNTRK1
SCHEMBL29693478 0.86 AXL (0.82) AXLMETKDRMERTKNTRK1
SCHEMBL371830 0.86 AXL (0.82) AXLMETKDRMERTKNTRK1
SCHEMBL29453534 0.84 MET (0.56) AXLMETKDRMERTKNTRK1
SCHEMBL22749893 0.84 MET (0.56) AXLMETKDRMERTKNTRK1
SCHEMBL22766341 0.84 AXL (0.63) AXLMETKDRMERTKNTRK1
SCHEMBL19373115 0.83 AXL (0.72) AXLMETKDRMERTKNTRK1
SCHEMBL21201014 0.83 AXL (0.68) AXLMETKDRMERTKNTRK1
SCHEMBL21201022 0.82 AXL (0.59) AXLMETKDRMERTKNTRK1

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-2020247418-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS EXELIXIS, INC. (US) 2020-12-10 — — WO disclosed
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