SCHEMBL22754355

SCHEMBL22754355

Nc1ccc(-c2cc(F)c(C(=O)NOCCO)c(F)c2)nc1NCc1ccc2ncccc2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
PDPK1 O15530 1/20 0.40
HDAC6 Q9UBN7 1/20 0.38
KDR P35968 7/20 0.38
FLT1 P17948 1/20 0.37
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
MET P08581 5/20 0.36
CDKL5 O76039 1/20 0.36
SYK P43405 1/20 0.36
HDAC4 P56524 1/20 0.36
EP300 Q09472 1/20 0.36
MEF2D Q14814 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
KCNH2 Q12809 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL22754354 0.89 PDPK1 (0.38) HDAC3PDPK1HDAC6KDRFLT1
SCHEMBL22754299 0.89 SYK (0.38) METSYKHDAC1HDAC2
SCHEMBL22754394 0.86 HDAC3 (0.45) HDAC3PDPK1HDAC6KDRFLT1
SCHEMBL15296871 0.85 HDAC3 (0.43) HDAC3PDPK1HDAC6KDRMET
SCHEMBL22754295 0.84 MET (0.45) HDAC3PDPK1HDAC6KDRFLT1
SCHEMBL16520986 0.81 SYK (0.45) HDAC3PDPK1KDRMETSYK
SCHEMBL21171369 0.80 MET (0.47) HDAC3PDPK1HDAC6KDRFLT1
SCHEMBL15288659 0.79 MET (0.48) MET
SCHEMBL15296664 0.79 MET (0.46) HDAC3PDPK1KDRMETCDKL5
SCHEMBL15296860 0.78 MET (0.37) HDAC3KDRMETCDKL5KCNH2

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
EP-2831073-B1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN KINASES RHIZEN PHARMACEUTICALS S A (CH) 2020-12-09 EP disclosed