SCHEMBL27933739

SCHEMBL27933739

CC(=O)Nc1ccccc1CCc1nc(Nc2ccc(N3CCNCC3)cc2)ncc1C(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 20/20 0.77
▸ FLT4 P35916 1/20 0.61

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
SCHEMBL27949158 0.90 PTK2 (0.79) PTK2FLT4
SCHEMBL14576132 0.87 PTK2 (1.00) PTK2FLT4
SCHEMBL12479296 0.87 PTK2 (1.00) PTK2FLT4
SCHEMBL27933742 0.82 PTK2 (0.78) PTK2FLT4
SCHEMBL14577085 0.80 PTK2 (1.00) PTK2FLT4
SCHEMBL12479002 0.79 PTK2 (1.00) PTK2
SCHEMBL14576356 0.78 PTK2 (0.66) PTK2FLT4
SCHEMBL14576358 0.78 PTK2 (0.66) PTK2FLT4
SCHEMBL14577232 0.78 PTK2 (1.00) PTK2FLT4
SCHEMBL14576324 0.77 PTK2 (0.74) PTK2FLT4

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
CN-103534241-A Fak inhibitor CANCER THERAPEUTICS CRC PTY LTD 2014-01-22 — — CN disclosed
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