SCHEMBL10467366

SCHEMBL10467366

COC(=O)c1cc(C(F)(F)F)c(O)nc1NC1CCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.43
SYK P43405 3/20 0.42
CFTR P13569 2/20 0.40
RIPK1 Q13546 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
EGFR P00533 1/20 0.38
ULK2 Q8IYT8 2/20 0.38
MAPK8 P45983 2/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
YAP1 P46937 1/20 0.37
WHR1 P49842 1/20 0.37
GALR2 O43603 1/20 0.36
GALR1 P47211 1/20 0.36
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL10468283 0.95 ROCK2 (0.42) ULK1SYKCFTRROCK2ROCK1
SCHEMBL10468535 0.89 KDM4E (0.48) ULK1SYKMAPK8
SCHEMBL10469415 0.87 NR2F2 (0.41) ULK1SYKROCK2ROCK1EGFR
SCHEMBL10467039 0.86 ULK1 (0.40) ULK1SYKROCK2ROCK1EGFR
SCHEMBL10466981 0.86 ULK1 (0.46) ULK1SYKMAPK8MERTK
SCHEMBL10468596 0.85 NR2F2 (0.39) ULK1SYKFLT3MERTK
SCHEMBL10468171 0.85 ROCK2 (0.49) SYKRIPK1ROCK2ROCK1MAPK8
SCHEMBL10469516 0.84 RIPK1 (0.40) SYKRIPK1ROCK2ROCK1MAPK8
SCHEMBL10468781 0.83 KDM4E (0.45) SYKKITFLT3
SCHEMBL10469377 0.81 NR2F2 (0.38) ULK1SYKROCK2ROCK1ULK2

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
US-4916229-A Pyridine carboxylic acid derivates WARNER-LAMBERT COMPANY (US) 1990-04-10 US disclosed