SCHEMBL25375552

SCHEMBL25375552

Nc1cc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.48
▸ NOS3 P29474 1/20 0.45
▸ NOS2 P35228 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ BCR P11274 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KCNH2 Q12809 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ TAS2R14 Q9NYV8 3/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL25377311 0.86 S1PR1 (0.45) ABL1BCRTAS2R14EPHX2MAPK8
SCHEMBL25375951 0.84 KCNH2 (0.49) ABL1BCRMAPTKDM4EKCNH2
SCHEMBL30482552 0.84 EGFR (0.47) DYRK1ANOS3NOS2ABL1BCR
SCHEMBL26202876 0.84 EGFR (0.47) DYRK1ANOS3NOS2ABL1BCR
SCHEMBL25377886 0.82 KCNH2 (0.45) ABL1BCRALDH1A1KCNH2TAS2R14
SCHEMBL30482511 0.82 KCNH2 (0.45) ABL1BCRALDH1A1KCNH2TAS2R14
SCHEMBL30482527 0.81 MAPK8 (0.41) DYRK1AABL1BCRMAPTTAS2R14
SCHEMBL25376686 0.81 MAPK8 (0.41) DYRK1AABL1BCRMAPTTAS2R14
SCHEMBL20779733 0.80 DYRK1A (0.42) DYRK1ANOS3NOS2ABL1BCR
SCHEMBL21053184 0.80 AKR1C3 (0.48) DYRK1AABL1BCRALDH1A1GAA

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
WO-2023146512-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023146512-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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