SCHEMBL12478767

SCHEMBL12478767

CS(=O)(=O)c1ncc(C(F)(F)F)c(C#Cc2ccccc2CC(=O)O)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 5/20 0.35
▸ FFAR1 O14842 3/20 0.35
▸ PTGS2 P35354 2/20 0.34
▸ PTGDR2 Q9Y5Y4 4/20 0.34
▸ S1PR4 O95977 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ TLR9 Q9NR96 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ SDHB P21912 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL17027317 0.91 PTK2 (0.36) PTK2
SCHEMBL12478676 0.89 HPGD (0.36) PTK2S1PR4LMNAHTTRAB9A
SCHEMBL14617540 0.80 SDHB (0.39) PTK2S1PR4LMNAHTTRAB9A
SCHEMBL15569325 0.78 PTK2 (0.44) PTK2
SCHEMBL17027297 0.73 RXFP1 (0.40) PTK2TP53HPGDALDH1A1
SCHEMBL12478570 0.71 RXFP1 (0.41) PTK2LMNATP53POLBHPGD
SCHEMBL17027345 0.68 PTK2 (0.54) PTK2
SCHEMBL14643154 0.67 SDHB (0.49) PTK2PTGS2S1PR4LMNAHTT
SCHEMBL15523755 0.66 KIT (0.48) PTK2
SCHEMBL14617543 0.66 ULK1 (0.43) PTK2PTGS2S1PR4LMNAHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014027199-A1 FAK AND FLT3 INHIBITORS CANCER THERAPEUTICS CRC PTY LTD (AU) 2014-02-20 — — WO disclosed
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