SCHEMBL6185405

SCHEMBL6185405

N#Cc1ccccc1-c1ccccc1-c1ccnc(-c2cccc(/C=N\[AsH2])c2)c1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.37
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CTSA P10619 2/20 0.33
JAK3 P52333 2/20 0.32
RPS6KA5 O75582 1/20 0.32
MAP2K4 P45985 1/20 0.32
RPS6KA3 P51812 1/20 0.32
MELK Q14680 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA3 P42263 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL6185417 0.94 CDC7 (0.36) CDC7PSEN1PSEN2APH1BNCSTN
SCHEMBL6164018 0.85 CDC7 (0.37) CDC7PSEN1PSEN2APH1BNCSTN
SCHEMBL6185415 0.84 CTSA (0.34) CDC7CTSAJAK3RPS6KA5MAP2K4
SCHEMBL6185412 0.74 F10 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7103088 0.74 CTSA (0.35) CDC7PSEN1PSEN2APH1BNCSTN
SCHEMBL6167430 0.72 ALDH1A1 (0.37) CDC7PSEN1PSEN2APH1BNCSTN
SCHEMBL6164851 0.72 RPS6KA5 (0.31) CTSAJAK3RPS6KA5MAP2K4RPS6KA3
SCHEMBL7103093 0.70 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6184792 0.70 JAK2 (0.32) CTSAJAK3KDM4ESCN9ALMNA
SCHEMBL6163106 0.68 ALOX5AP (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP claimed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP claimed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO claimed