SCHEMBL21186004

SCHEMBL21186004

COc1cc2nc(N)sc2cc1Oc1ccc(F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.49
GFER P55789 1/20 0.49
AHR P35869 1/20 0.44
CYP3A4 P08684 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
FTO Q9C0B1 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PI4KA P42356 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
PIP5K1C O60331 1/20 0.39
PIK3CG P48736 1/20 0.39
ILK Q13418 1/20 0.39
DRD2 P14416 1/20 0.38

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
SCHEMBL21186235 0.88 AXL (0.49) AXLGFERCYP3A4CYP1A2CYP2C19
SCHEMBL21186250 0.84 AXL (0.50) AXLGFERCYP3A4CYP1A2CYP2C19
SCHEMBL21186400 0.81 AXL (0.47) AXLGFERCYP3A4PIK3CDPIK3CA
SCHEMBL21186404 0.81 AXL (0.47) AXLGFERCYP3A4CYP1A2PIK3CA
SCHEMBL21186391 0.79 AXL (0.60) AXLGFERCYP3A4CYP1A2CYP2C19
SCHEMBL7679151 0.79 CYP3A4 (0.53) AXLGFERCYP3A4CYP1A2CYP2C19
SCHEMBL21091211 0.79 CYP3A4 (0.53) AXLGFERCYP3A4CYP1A2CYP2C19
SCHEMBL29741763 0.79 CYP3A4 (0.53) AXLGFERCYP3A4CYP1A2CYP2C19
SCHEMBL31114638 0.79 CYP3A4 (0.59) AXLGFERCYP3A4CYP1A2CYP2C19
SCHEMBL9722790 0.79 CYP3A4 (0.59) AXLGFERCYP3A4CYP1A2CYP2C19

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
WO-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed