SCHEMBL20450361

SCHEMBL20450361

C=C(C(N)=O)c1ccccc1CCc1nc(Nc2ccc(C3CCNCC3)cc2)ncc1C(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 13/20 0.77
▸ FLT4 P35916 8/20 0.72
▸ KDR P35968 3/20 0.72

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
SCHEMBL20459318 0.87 PTK2 (0.84) PTK2FLT4KDR
SCHEMBL12478131 0.87 PTK2 (1.00) PTK2FLT4KDR
SCHEMBL12477968 0.84 PTK2 (1.00) PTK2FLT4KDR
SCHEMBL15502384 0.83 FLT4 (1.00) PTK2FLT4KDR
SCHEMBL15524366 0.83 PTK2 (0.83) PTK2FLT4KDR
SCHEMBL15506719 0.83 FLT4 (0.95) PTK2FLT4KDR
SCHEMBL12478148 0.82 PTK2 (1.00) PTK2FLT4KDR
SCHEMBL12478471 0.82 PTK2 (1.00) PTK2FLT4KDR
SCHEMBL15506624 0.82 FLT4 (1.00) PTK2FLT4KDR
SCHEMBL15506625 0.82 FLT4 (1.00) PTK2FLT4KDR

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
EP-2675793-B1 FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LTD (AU) 2018-08-08 — — EP disclosed
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