SCHEMBL17049582

SCHEMBL17049582

COc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccccc2CC(=O)O)n1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 16/20 0.72
▸ FLT4 P35916 11/20 0.72
▸ ALK Q9UM73 4/20 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
SCHEMBL12479644 0.99 PTK2 (0.71) PTK2FLT4ALK
SCHEMBL14635976 0.95 PTK2 (0.72) PTK2FLT4ALK
SCHEMBL12479555 0.94 PTK2 (0.82) PTK2FLT4ALK
Lithium Ion SCHEMBL12479642 0.93 PTK2 (0.71) PTK2FLT4ALK
Acetic Acid SCHEMBL27949192 0.91 PTK2 (0.65) PTK2FLT4ALK
SCHEMBL14617553 0.89 PTK2 (0.71) PTK2FLT4
SCHEMBL14648864 0.89 PTK2 (0.83) PTK2FLT4
SCHEMBL14648384 0.88 PTK2 (0.69) PTK2FLT4
SCHEMBL12478760 0.88 PTK2 (0.70) PTK2FLT4
SCHEMBL14635374 0.88 PTK2 (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174946-B2 Selective FAK inhibitors CANCER THERAPEUTICS CRC PTY LTD (AU) 2015-11-03 — — US disclosed
US-9120761-B2 Selective FAK inhibitors CANCER THERAPEUTICS CRC PTY LTD (AU) 2015-09-01 — — US disclosed
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