SCHEMBL7557740

SCHEMBL7557740

Cn1c(CN)c(-c2ccccc2)c2ccc(Cl)cc2c1=O

nearest known ligand 0.90

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.90
KCNA5 P22460 1/20 0.46
KCNH2 Q12809 1/20 0.46
MEN1 O00255 1/20 0.45
CRHBP P24387 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR2 Q13324 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
EGFR P00533 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 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
Hydrochloric Acid SCHEMBL5236916 0.99 DPP4 (0.88) DPP4KCNA5KCNH2MEN1CRHBP
SCHEMBL5232770 0.95 DPP4 (1.00) DPP4KCNA5KCNH2
SCHEMBL5236714 0.88 DPP4 (0.70) DPP4KCNA5KCNH2MEN1CRHBP
SCHEMBL5237400 0.87 DPP4 (0.69) DPP4KCNA5KCNH2MEN1CRHBP
SCHEMBL5236399 0.86 DPP4 (0.76) DPP4KCNA5KCNH2
Hydrochloric Acid SCHEMBL5241438 0.85 DPP4 (0.74) DPP4KCNA5KCNH2
SCHEMBL8947899 0.85 DPP4 (1.00) DPP4KCNA5KCNH2EGFRCA1
SCHEMBL5235622 0.84 DPP4 (0.72) DPP4KCNA5KCNH2
SCHEMBL5236388 0.82 DPP4 (0.70) DPP4KCNA5KCNH2
SCHEMBL6110970 0.82 DPP4 (0.77) DPP4KCNA5KCNH2CA1CA2

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
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 WO disclosed