SCHEMBL11117788

SCHEMBL11117788

C=CCNC(=O)Nc1ccc(-c2ccccn2)cn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
PIK3CA P42336 1/20 0.51
WNT3A P56704 7/20 0.49
DGAT1 O75907 1/20 0.46
GRM5 P41594 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL3661856 0.84 RAB9A (0.59) HTTSMN1; SMN2
SCHEMBL23405932 0.74 GRM5 (0.64) MAPK1WNT3AGRM5SMN1; SMN2
SCHEMBL20641476 0.74 RAB9A (0.66) GRM5
SCHEMBL2574821 0.74 CHEK1 (0.52) MAPK1PIK3CAWNT3AHTT
SCHEMBL10852703 0.72 RAB9A (0.51) HTTSMN1; SMN2
SCHEMBL10760410 0.72 RAB9A (0.48) HTTSMN1; SMN2
SCHEMBL23405893 0.71 RAB9A (0.67) GRM5
SCHEMBL5452138 0.71 MAPK1 (0.82) MAPK1PIK3CA
SCHEMBL23406055 0.70 SMN1; SMN2 (0.65) GRM5SMN1; SMN2
SCHEMBL23406072 0.70 DEGS1 (0.63) SMN1; SMN2

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
US-4448780-A N-(Lower-alkyl)-N'-[5-(pyridinyl)-2-pyridinyl]ureas and cardiotonic use thereof STERLING DRUG INC. (US) 1984-05-15 US disclosed