SCHEMBL22754394

SCHEMBL22754394

NC(=O)c1c(F)cc(-c2ccc(N)c(NCc3ccc4ncccc4c3)n2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.45
SYK P43405 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PDPK1 O15530 1/20 0.40
KDR P35968 6/20 0.40
HDAC4 P56524 1/20 0.40
EP300 Q09472 1/20 0.40
MEF2D Q14814 1/20 0.40
NPC1 O15118 1/20 0.40
FLT1 P17948 1/20 0.39
MET P08581 4/20 0.38
CDKL5 O76039 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
AR P10275 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL15296871 0.90 HDAC3 (0.43) HDAC3SYKHDAC6PDPK1KDR
SCHEMBL16520986 0.86 SYK (0.45) HDAC3SYKPDPK1KDRNPC1
SCHEMBL22754355 0.86 HDAC3 (0.40) HDAC3SYKHDAC6PDPK1KDR
SCHEMBL21171369 0.86 MET (0.47) HDAC3SYKHDAC6PDPK1KDR
SCHEMBL15296664 0.83 MET (0.46) HDAC3SYKPDPK1KDRMET
SCHEMBL19961116 0.83 SYK (0.46) HDAC3SYKPDPK1KDRNPC1
SCHEMBL22754437 0.82 JAK3 (0.38) KDRNPC1
SCHEMBL22754338 0.82 SYK (0.43) HDAC3SYKPDPK1KDRHDAC4
SCHEMBL21171384 0.82 HDAC3 (0.42) HDAC3SYKHDAC6PDPK1KDR
SCHEMBL21171388 0.81 MET (0.49) PDPK1METCDKL5KCNH2

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