SCHEMBL28114582

SCHEMBL28114582

NC(=O)c1cnc2ncc(N)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.47
STAMBP O95630 1/20 0.47
COPS5 Q92905 1/20 0.47
NNMT P40261 7/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGDS O60760 1/20 0.43
CHEK2 O96017 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
DDO Q99489 1/20 0.36
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
LCK P06239 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM4B O94953 1/20 0.34
KDM5C P41229 1/20 0.34
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL4987651 0.79 KDM4E (0.38) SMN1; SMN2LMNAKDM4EMEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL5265639 0.79 PSMD14 (0.45) PSMD14STAMBPCOPS5NNMTSMN1; SMN2
SCHEMBL2561709 0.76 PSMD14 (0.46) PSMD14STAMBPCOPS5NNMTSMN1; SMN2
SCHEMBL29755236 0.76 PSMD14 (0.46) PSMD14STAMBPCOPS5NNMTSMN1; SMN2
SCHEMBL25521847 0.76 PSMD14 (0.40) PSMD14STAMBPCOPS5NNMTSMN1; SMN2
SCHEMBL163182 0.75 PSMD14 (0.56) PSMD14STAMBPCOPS5NNMTSMN1; SMN2
SCHEMBL27599972 0.74 PSMD14 (0.55) PSMD14STAMBPCOPS5NNMTSMN1; SMN2
Hydrochloric Acid SCHEMBL14966721 0.74 PSMD14 (0.55) PSMD14STAMBPCOPS5NNMTSMN1; SMN2
SCHEMBL6786132 0.73 PSMD14 (0.40) PSMD14STAMBPCOPS5NNMTSMN1; SMN2
SCHEMBL160862 0.71 HPGDS (0.44) PSMD14STAMBPCOPS5NNMTSMN1; 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
CN-104781251-B Can as kinase modulator through the substituted pyridinyl compounds of bicyclic heterocycle 百时美施贵宝公司 2016-12-14 CN disclosed