SCHEMBL12478142

SCHEMBL12478142

COC(=O)C(C)C(Cc1ccccc1)c1nc(Nc2ccc(C3CCN(C(=O)O)CC3)cc2)ncc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 13/20 0.49
▸ FLT4 P35916 6/20 0.46
▸ KDR P35968 1/20 0.46
▸ STAT6 P42226 1/20 0.45
▸ ALK Q9UM73 1/20 0.43

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
SCHEMBL14576969 0.93 PTK2 (0.48) PTK2FLT4KDRSTAT6
SCHEMBL14576563 0.92 PTK2 (0.53) PTK2FLT4KDRSTAT6
SCHEMBL12478916 0.89 PTK2 (0.56) PTK2FLT4KDR
SCHEMBL15514223 0.86 PTK2 (0.54) PTK2FLT4KDRSTAT6
SCHEMBL14576493 0.86 PTK2 (0.49) PTK2FLT4KDRSTAT6ALK
SCHEMBL12478967 0.85 PTK2 (0.50) PTK2FLT4KDRSTAT6
SCHEMBL15514817 0.84 PTK2 (0.48) PTK2FLT4KDRSTAT6ALK
SCHEMBL15513236 0.84 FLT4 (0.56) PTK2FLT4KDR
SCHEMBL15513392 0.83 PTK2 (0.47) PTK2FLT4KDRSTAT6ALK
SCHEMBL12478260 0.82 PTK2 (0.54) PTK2FLT4KDRSTAT6

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-2675793-A1 FAK INHIBITORS Cancer Therapeutics Crc Pty Limited (AU) 2013-12-25 — — EP disclosed
WO-2012110773-A1 FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2012-08-23 — — WO disclosed
Send feedback