SCHEMBL4584365

SCHEMBL4584365

NC(=O)N1CCNCC1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.63
CA2 P00918 2/20 0.63
CA4 P22748 2/20 0.63
CA9 Q16790 2/20 0.63
DPP4 P27487 5/20 0.57
SLC6A4 P31645 7/20 0.57
SLC6A3 Q01959 7/20 0.57
SLC6A2 P23975 6/20 0.57
DPP7 Q9UHL4 2/20 0.55
REN P00797 2/20 0.51
MITF O75030 1/20 0.44

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
SCHEMBL590923 0.88 CA1 (0.62) CA1CA2CA4CA9DPP4
SCHEMBL28045116 0.88 CA1 (0.62) CA1CA2CA4CA9DPP4
SCHEMBL27497468 0.86 CA1 (0.49) CA1CA2CA4CA9DPP4
SCHEMBL8499274 0.86 CA1 (0.60) CA1CA2CA4CA9DPP4
SCHEMBL9988384 0.82 DPP4 (0.57) CA1CA2CA4CA9DPP4
SCHEMBL3507638 0.82 DPP4 (0.57) CA1CA2CA4CA9DPP4
SCHEMBL1619035 0.82 CA1 (0.57) CA1CA2CA4CA9DPP4
SCHEMBL3507642 0.82 DPP4 (0.57) CA1CA2CA4CA9DPP4
SCHEMBL1619197 0.81 CA1 (0.56) CA1CA2CA4CA9DPP4
SCHEMBL21590395 0.81 CA1 (0.56) CA1CA2CA4CA9DPP4

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
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO claimed
EP-1979329-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2008-10-15 EP disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 WO disclosed