SCHEMBL28782003

SCHEMBL28782003

COC(=O)c1ccc(-c2ccccc2CN)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.49
▸ HIF1A Q16665 3/20 0.46
▸ DPP4 P27487 1/20 0.44
▸ DYRK1A Q13627 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ F10 P00742 2/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ AKT2 P31751 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ F9 P00740 1/20 0.39
▸ GCGR P47871 1/20 0.39

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
SCHEMBL27806948 0.82 DPP4 (0.53) HIF1ADPP4F10KDM4EL3MBTL1
SCHEMBL19794412 0.81 MAPK1 (0.56) MAPK1DYRK1AAKT1AKT2KDM4E
SCHEMBL27772735 0.78 MAPK1 (0.53) MAPK1HIF1ADYRK1AKDM4EL3MBTL1
SCHEMBL11041168 0.77 MAPK1 (0.59) MAPK1HIF1ADYRK1AKDM4EL3MBTL1
SCHEMBL14007487 0.77 DPP4 (0.49) DPP4L3MBTL1
SCHEMBL2329789 0.74 MAPK1 (0.59) MAPK1HIF1ADYRK1AKDM4EL3MBTL1
SCHEMBL8279412 0.74 DPP4 (0.53) DPP4F10
SCHEMBL15671420 0.74 KMT2A (0.53) MAPK1HIF1AROCK2AKT1KDM4E
SCHEMBL1298969 0.74 GRM5 (0.58) MAPK1DYRK1AKDM4EL3MBTL1
SCHEMBL27378863 0.73 ROCK2 (0.60) DPP4ROCK2

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
CN-101511789-B 5, 6-bisaryl-2-pyridine-carboxamide derivatives, their preparation and their use in therapy as urotensin II receptor antagonists SANOFI AVENTIS 2012-05-23 — — CN disclosed
CN-101511789-A 5, 6-bisaryl-2-pyridine-carboxamide derivatives, their preparation and their use in therapy as urotensin II receptor antagonists SANOFI AVENTIS (FR) 2009-08-19 — — CN disclosed
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