SCHEMBL28840069

SCHEMBL28840069

O=COCc1ncc2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYSLTR1 Q9Y271 3/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ CYSLTR2 Q9NS75 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ GPR3 P46089 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ CYP1A2 P05177 3/20 0.34
▸ FDPS P14324 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL27863137 0.84 ALDH1A1 (0.36) ALDH1A1GAACYSLTR1PDE10ACYSLTR2
SCHEMBL30824487 0.77 TSHR (0.41) CYSLTR1PDE10ACYSLTR2KDM4EGPR3
SCHEMBL10669295 0.76 CYSLTR1 (0.57) CYSLTR1PDE10ACYSLTR2GPBAR1SMN1; SMN2
SCHEMBL9934866 0.74 KDM4E (0.42) ALDH1A1PDE10AKDM4EGPR3EGFR
SCHEMBL7510557 0.72 CYSLTR1 (0.57) CYSLTR1PDE10ACYSLTR2CYP1A2ALOX5
SCHEMBL27706169 0.72 PDE10A (0.58) ALDH1A1GAACYSLTR1PDE10ACYSLTR2
SCHEMBL1092433 0.72 PDGFRB (0.46) ALDH1A1PDE10AKDM4ECYP1A2PDGFRB
SCHEMBL28044580 0.72 KDM4E (0.34) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28931171 0.71 ATM (0.44) ALDH1A1PDE10AKDM4ECYP1A2SMN1; SMN2
SCHEMBL7168931 0.71 SMN1; SMN2 (0.51) ALDH1A1GAACYSLTR1PDE10AKDM4E

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-103797002-B Dyrk1 inhibitors and uses thereof 迪亚克森海特公司 2017-02-22 — — CN claimed
CN-103797002-B Dyrk1 inhibitors and uses thereof 迪亚克森海特公司 2017-02-22 — — CN disclosed
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