SCHEMBL20459263

SCHEMBL20459263

CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)[S+](C)[O-]

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 18/20 0.78
PTK2B Q14289 16/20 0.78
AURKA O14965 2/20 0.78
PLK4 O00444 1/20 0.78
PDPK1 O15530 1/20 0.78
DAPK3 O43293 1/20 0.78
JAK2 O60674 1/20 0.78
ROCK2 O75116 1/20 0.78
STK16 O75716 1/20 0.78
PRKD3 O94806 1/20 0.78
MAP4K4 O95819 1/20 0.78
PAK4 O96013 1/20 0.78
CHEK2 O96017 1/20 0.78
NTRK1 P04629 1/20 0.78
PRKCG P05129 1/20 0.78
INSR P06213 1/20 0.78
LCK P06239 1/20 0.78
FYN P06241 1/20 0.78
CDK1 P06493 1/20 0.78
LYN P07948 1/20 0.78

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
Pf-00562271 SCHEMBL1206959 0.88 PTK2 (1.00) PTK2PTK2BAURKAPLK4PDPK1
Pf-00562271 SCHEMBL29637167 0.88 PTK2 (1.00) PTK2PTK2BAURKAPLK4PDPK1
Pf-00562271 SCHEMBL29381854 0.88 PTK2 (1.00) PTK2PTK2BAURKAPLK4PDPK1
Pf-00562271 SCHEMBL21062022 0.87 PTK2 (0.99) PTK2PTK2BAURKAPLK4PDPK1
Pf-00562271 SCHEMBL29496512 0.87 PTK2 (0.99) PTK2PTK2BAURKAPLK4PDPK1
SCHEMBL1207932 0.85 PTK2 (0.80) PTK2PTK2BAURKAPLK4PDPK1
SCHEMBL5504547 0.85 PTK2 (0.84) PTK2PTK2BAURKAPLK4PDPK1
SCHEMBL5501091 0.85 PTK2 (0.84) PTK2PTK2BAURKAPLK4PDPK1
SCHEMBL29157673 0.83 PTK2B (0.72) PTK2PTK2BAURKAPLK4PDPK1
SCHEMBL3148510 0.83 PTK2B (0.82) PTK2PTK2BAURKAPLK4PDPK1

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
WO-2020006724-A1 COMPOUND FOR TARGETED DEGRADATION OF FAK PROTEIN AND USE THEREOF 清华大学 2020-01-09 WO disclosed
EP-2675793-B1 FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LTD (AU) 2018-08-08 EP disclosed