SCHEMBL13936181

SCHEMBL13936181

CC#CCn1c(N(C)C[C@H](C)N)nc2c1c(=O)n(Cc1cc(C)ccc1C#N)c(=O)n2C

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 0.46
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL13954914 0.91 KMT2A (0.41) DPP4KMT2A
SCHEMBL4488426 0.90 KMT2A (0.52) DPP4KMT2A
SCHEMBL4488433 0.90 KMT2A (0.52) DPP4KMT2A
SCHEMBL13936189 0.87 DPP4 (0.43) DPP4KMT2A
SCHEMBL13936193 0.87 DPP4 (0.60) DPP4KMT2A
SCHEMBL13936234 0.85 DPP4 (0.49) DPP4KMT2A
SCHEMBL9290401 0.83 DPP4 (0.43) DPP4
SCHEMBL4483972 0.82 DPP4 (0.46) DPP4KMT2A
SCHEMBL4483980 0.82 DPP4 (0.46) DPP4KMT2A
SCHEMBL8273196 0.81 DPP4 (0.41) DPP4

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
US-7495002-B2 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-24 — — US disclosed
Send feedback