SCHEMBL25924181

SCHEMBL25924181

Cc1cncc(C#N)c1/C=C/N(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL25322849 0.82 ALDH1A1 (0.32) RAF1GAAALDH1A1SMN1; SMN2
SCHEMBL25323587 0.82 GAA (0.36) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL22120693 0.76 GRIA1 (0.35) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL13773302 0.70 HTT (0.40) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL2982328 0.70 HTT (0.40) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL3828343 0.70 HTT (0.40) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL3559922 0.69 TSHR (0.41) RAF1ALDH1A1CYP11B1CYP11B2
SCHEMBL15334774 0.69 TSHR (0.44) RAF1ALDH1A1CYP11B1CYP11B2
SCHEMBL30481365 0.67 HTT (0.40) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL1550437 0.67 HTT (0.40) GAAALDH1A1MAPTKDM4EMEN1

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-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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