SCHEMBL29928526

SCHEMBL29928526

Nc1nc(N)n(-c2nccc3occc23)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
DRD2 P14416 7/20 0.35
HTR2A P28223 7/20 0.35
DRD3 P35462 7/20 0.35
AXL P30530 1/20 0.34
PHGDH O43175 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL29927588 0.75 AXL (0.51) HTR2CAXLALDH1A1
SCHEMBL29928245 0.69 ATM (0.49) KDM4EALDH1A1
SCHEMBL557772 0.67 NOS3 (0.43) HTR2CDYRK1A
SCHEMBL15971536 0.66 HTR2C (0.73) HTR2CDRD2HTR2ADRD3PHGDH
SCHEMBL15971496 0.65 HTR2C (0.71) HTR2CDRD2HTR2ADRD3PHGDH
SCHEMBL3679735 0.64 HTR2C (0.69) HTR2CDRD2HTR2ADRD3PHGDH
SCHEMBL4935508 0.64 HTR2C (0.69) HTR2CDRD2HTR2ADRD3PHGDH
SCHEMBL1601087 0.64 HTR2C (0.69) HTR2CDRD2HTR2ADRD3PHGDH
SCHEMBL29928021 0.63 KDR (0.50) HTR2CDRD2HTR2AAXLALDH1A1
SCHEMBL1026755 0.62 HTR2C (1.00) HTR2CDYRK1A

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
CN-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN claimed
CN-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN disclosed