SCHEMBL9188142

SCHEMBL9188142

N#CC(C(=O)Nc1ccncc1)=C(O)C1CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.70
▸ ROCK2 O75116 4/20 0.45
▸ ROCK1 Q13464 4/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ PKN2 Q16513 3/20 0.43
▸ RPS6KA5 O75582 2/20 0.43
▸ LRRK2 Q5S007 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CHUK O15111 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ LTK P29376 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ PRKX P51817 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ PRKCQ Q04759 1/20 0.43
▸ PRKCD Q05655 1/20 0.43
▸ STK3 Q13188 1/20 0.43

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
SCHEMBL16741993 0.83 DHODH (0.70) DHODHKMT2AHTTTSHRLMNA
SCHEMBL5049041 0.83 DHODH (0.70) DHODHKMT2AHTTTSHRLMNA
SCHEMBL27242987 0.83 DHODH (0.74) DHODHKMT2ATP53CYP3A4HTT
SCHEMBL25813258 0.83 DHODH (0.74) DHODHKMT2ATP53CYP3A4HTT
SCHEMBL6655226 0.83 DHODH (0.70) DHODHKMT2AHTTTSHRLMNA
SCHEMBL18118641 0.83 DHODH (0.70) DHODHKMT2ATP53HTTTSHR
SCHEMBL18120682 0.82 DHODH (1.00) DHODHEPHX2
SCHEMBL8857884 0.82 DHODH (1.00) DHODHEPHX2
SCHEMBL8678233 0.82 DHODH (0.68) DHODHKMT2AHTTTSHRLMNA
SCHEMBL8614000 0.82 DHODH (0.68) DHODHKMT2ALMNAMEN1G6PD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606175-B1 2-Cyano-3-hydroxypropenamide derivatives, process for their preparation, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1995-10-11 — — EP claimed
EP-0606175-A1 2-Cyano-3-hydroxypropenamide derivatives, process for their preparation, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1994-07-13 — — EP claimed
EP-0606175-B1 2-Cyano-3-hydroxypropenamide derivatives, process for their preparation, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1995-10-11 — — EP disclosed
US-5346912-A 2-cyano-3-hydroxy-(n-pyridyl)-propenamide compounds ROUSSEL-UCLAF (FR) 1994-09-13 — — US disclosed
EP-0606175-A1 2-Cyano-3-hydroxypropenamide derivatives, process for their preparation, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1994-07-13 — — EP disclosed
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