SCHEMBL30449504

SCHEMBL30449504

NCC(O)COc1cccc(C(=O)c2cnn(-c3ccc(F)cc3)c2N)c1

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.86
GAK O14976 1/20 0.86
LCK P06239 1/20 0.86
CYP3A4 P08684 1/20 0.86
PDGFRB P09619 1/20 0.86
CYP2D6 P10635 1/20 0.86
CYP2C9 P11712 1/20 0.86
MAPK9 P45984 1/20 0.86
MAPK10 P53779 1/20 0.86
EPHA5 P54756 1/20 0.86
MAPK11 Q15759 1/20 0.86

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
SCHEMBL18059878 1.00 MAPK14 (0.86) MAPK14GAKLCKCYP3A4PDGFRB
Ro-3201195 SCHEMBL6157573 0.93 MAPK14 (1.00) MAPK14GAKLCKCYP3A4PDGFRB
Ro-3201195 SCHEMBL4108597 0.93 MAPK14 (1.00) MAPK14GAKLCKCYP3A4PDGFRB
Ro-3201195 SCHEMBL29437792 0.93 MAPK14 (1.00) MAPK14GAKLCKCYP3A4PDGFRB
Ro-3201195 SCHEMBL1417312 0.93 MAPK14 (1.00) MAPK14GAKLCKCYP3A4PDGFRB
Ro-3201195 SCHEMBL31046797 0.93 MAPK14 (1.00) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL6160174 0.86 MAPK14 (0.75) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL18722103 0.86 MAPK14 (0.81) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL2356260 0.85 MAPK14 (0.74) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL2356231 0.84 MAPK14 (0.76) MAPK14GAKLCKCYP3A4PDGFRB

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-3069732-B1 DRUG FOR TREATING CORNEAL ENDOTHELIUM BY PROMOTING CELL PROLIFERATION OR INHIBITING CELL DAMAGE THE DOSHISHA (JP) 2023-07-12 EP disclosed