SCHEMBL8484101

SCHEMBL8484101

[c]1ccnc(-c2ncc[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.44
MTOR P42345 1/20 0.44
ADK P55263 1/20 0.44
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CSNK1A1 P48729 1/20 0.34
TYRO3 Q06418 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
ADRA2A P08913 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
SMPD3 Q9NY59 1/20 0.32
IDO1 P14902 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
SCHEMBL1450328 0.75 KDM4E (0.36) ALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL965214 0.73 NISCH (0.60) NISCHMTORADKALDH1A1MEN1
SCHEMBL5491437 0.72
SCHEMBL117383 0.71 MTOR (0.57) NISCHMTORADKALDH1A1MEN1
SCHEMBL16817999 0.71 MTOR (0.57) NISCHMTORADKALDH1A1MEN1
SCHEMBL2033935 0.71 NISCH (0.42) NISCHMTORADKALDH1A1MEN1
SCHEMBL27886210 0.71 KDM4C (0.46)
SCHEMBL81650 0.69 NISCH (0.59) NISCHMTORADKALDH1A1MEN1
SCHEMBL31164778 0.69 MTOR (0.55) NISCHMTORADKALDH1A1MEN1
Hydrochloric Acid SCHEMBL525673 0.69 MTOR (0.55) NISCHMTORADKALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO claimed
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed
EP-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed