SCHEMBL4873943

SCHEMBL4873943

Cc1ncn(-c2ccc([AsH2])cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 12/20 0.42
PCSK9 Q8NBP7 1/20 0.36
MAPK8 P45983 5/20 0.35
JUN P05412 2/20 0.35
CYP3A4 P08684 2/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
MEN1 O00255 1/20 0.33
ALOX15B O15296 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK13 O15264 2/20 0.32
MAPK12 P53778 2/20 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
SCHEMBL13183810 0.83 ALDH1A1 (0.45) MAPK10PCSK9MAPK8JUNMEN1
SCHEMBL719104 0.80 MAPT (0.46) MAPK10PCSK9MAPK8JUNCYP3A4
SCHEMBL15299233 0.80 MAPK10 (0.42) MAPK10PCSK9MAPK8JUNCYP3A4
SCHEMBL16202024 0.80 MAPK10 (0.42) MAPK10PCSK9JUNPSEN1PSEN2
Hydrochloric Acid SCHEMBL5799102 0.78 MAPK10 (0.41) MAPK10PCSK9MAPK8JUNCYP3A4
SCHEMBL2555951 0.77 ALDH1A1 (0.49) MAPK10CYP3A4PSEN1PSEN2APH1B
SCHEMBL13183655 0.77 NOTUM (0.51) MAPK10PCSK9MEN1ALDH1A1KMT2A
SCHEMBL16202029 0.77 MEN1 (0.44) MAPK10PCSK9CYP3A4PSEN1PSEN2
SCHEMBL16202025 0.76 KCNH2 (0.42) MAPK10
SCHEMBL1955774 0.76 EP300 (0.43) MAPK10MAPK8ALDH1A1

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
EP-1951713-A1 PROCESS FOR THE LARGE SCALE PRODUCTION OF RIZATRIPTAN BENZOATE Matrix Laboratories Ltd (IN) 2008-08-06 EP claimed
WO-2007054979-A1 PROCESS FOR THE LARGE SCALE PRODUCTION OF RIZATRIPTAN BENZOATE MATRIX LABORATORIES LTD (IN) 2007-05-18 WO claimed