SCHEMBL9687074

SCHEMBL9687074

CC(=O)Nc1ccnc(C(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.49
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GLA P06280 1/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
RUNX1 Q01196 1/20 0.47
CBFB Q13951 1/20 0.47
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46

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
SCHEMBL5906610 0.87 KDM4E (0.52) TYK2JAK2JAK1KDM4EMEN1
SCHEMBL17942340 0.87 ALDH1A1 (0.44) TYK2JAK2JAK1KDM4EMAPT
SCHEMBL14168412 0.83 ALDH1A1 (0.52) TYK2JAK2JAK1KDM4EMEN1
SCHEMBL197857 0.81 KDM5A (0.54) TYK2JAK2JAK1KDM4EMEN1
SCHEMBL5520229 0.79 KDM4E (0.49) TYK2JAK2JAK1KDM4EMEN1
SCHEMBL13165570 0.79 TYK2 (0.66) TYK2JAK2JAK1KDM4EMEN1
SCHEMBL7672757 0.79 SMARCA2 (0.63) TYK2JAK2JAK1KDM4EMEN1
SCHEMBL29530078 0.79 CYP17A1 (0.46) AR
SCHEMBL4597222 0.79 CYP17A1 (0.46) AR
SCHEMBL5520232 0.78 JAK2 (0.56) TYK2JAK2JAK1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313630-B1 SUBSTITUTED 2-ACYLPYRIDIN-ALPHA-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME DEUTSCHES AUSSÄTZIGEN HILFSWERK E.V. (DE) 1992-09-16 EP disclosed
US-5084458-A Bactericides, malaria and antitumor agents SCHAPER KLAUS JUERGEN (DE) 1992-01-28 US disclosed
US-4997835-A Bactericides, malaria, antitumor SCHAPER KLAUS JUERGEN (DE) 1991-03-05 US disclosed
EP-0313630-A1 SUBSTITUTED 2-ACYLPYRIDIN-ALPHA-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME. DEUTSCHES AUSSATZIGEN HILFSWER (DE) 1989-05-03 EP disclosed