SCHEMBL5141220

SCHEMBL5141220

CCCC=C(C#N)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.41
ALDH1A1 P00352 1/20 0.40
JAK3 P52333 1/20 0.33
PLA2G4A P47712 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TBXAS1 P24557 1/20 0.31
FBP1 P09467 1/20 0.30
CCNB2 O95067 1/20 0.30
CCNE2 O96020 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30

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
SCHEMBL16533076 0.80 ALDH1A1 (0.47) FTOALDH1A1JAK3NPC1RAB9A
SCHEMBL19954102 0.77 FTO (0.40) FTOALDH1A1JAK3NPC1RAB9A
SCHEMBL7535989 0.75 FTO (0.45) FTOALDH1A1JAK3NPC1RAB9A
SCHEMBL15657999 0.74 FTO (0.42) FTOALDH1A1JAK3PLA2G4ANPC1
SCHEMBL16532962 0.70 FTO (0.47) FTOALDH1A1JAK3NPC1RAB9A
SCHEMBL21226224 0.70 KMT2A (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7994155 0.69 ALDH1A1 (0.52) ALDH1A1PLA2G4ASMN1; SMN2TBXAS1CCNB2
SCHEMBL5141219 0.69 ALDH1A1 (0.40) FTOALDH1A1PLA2G4ASMN1; SMN2FBP1
SCHEMBL20902790 0.69 FTO (0.37) FTOJAK3NPC1RAB9ASMN1; SMN2
SCHEMBL13369212 0.68 ALDH1A1 (0.42) FTOALDH1A1PLA2G4AFBP1

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
EP-1966202-A1 HETEROARYL SUBSTITUTED PYRROLOÝ2,3-B¨PYRIDINES AND PYRROLOÝ2,3-B¨PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2008-09-10 EP disclosed
WO-2007070514-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2007-06-21 WO disclosed