SCHEMBL20767366

SCHEMBL20767366

Fc1cccc(-c2cnc3ccccn23)c1F

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.56
PIK3CA P42336 1/20 0.47
MIF P14174 1/20 0.46
IRAK4 Q9NWZ3 4/20 0.45
PKM P14618 5/20 0.44
DYRK1A Q13627 1/20 0.43
FLT1 P17948 1/20 0.41
CDK8 P49336 1/20 0.41
CDK9 P50750 1/20 0.41
LIMK1 P53667 1/20 0.41
ROCK1 Q13464 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
IDO1 P14902 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL29109639 0.76 FLT3 (0.50) FLT3PIK3CAMIFIRAK4PKM
SCHEMBL30566633 0.76 IDO1 (0.48) IDO1
SCHEMBL21631035 0.76 IDO1 (0.48) IDO1
SCHEMBL20474191 0.74 FLT3 (0.46) FLT3PIK3CAMIFIRAK4PKM
SCHEMBL31723515 0.73 FLT3 (0.50) FLT3PIK3CAMIFIRAK4PKM
SCHEMBL13180735 0.72 FLT3 (1.00) FLT3PIK3CAMIFPKMDYRK1A
SCHEMBL20767014 0.72 MEN1 (0.56) LIMK1
SCHEMBL30655418 0.72 FLT3 (0.69) FLT3PIK3CAMIFIRAK4PKM
SCHEMBL19153658 0.72 FLT3 (0.49) FLT3PIK3CAMIFIRAK4PKM
SCHEMBL29109646 0.72 FLT3 (0.69) FLT3PIK3CAMIFIRAK4PKM

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
EP-3672970-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS Gilead Sciences, Inc. (US) 2020-07-01 EP disclosed
WO-2019040102-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2019-02-28 WO disclosed