SCHEMBL23912895

SCHEMBL23912895

Cc1nc2c(cc1CN)CCCN2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.41
NNMT P40261 1/20 0.39
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KLKB1 P03952 2/20 0.32
MAP4K1 Q92918 2/20 0.32
ITGB3 P05106 4/20 0.31
ITGAV P06756 4/20 0.31
ITGB5 P18084 2/20 0.31

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
SCHEMBL18368272 0.90 NNMT (0.36) UHRF1NNMTKLKB1MAP4K1PDE3B
SCHEMBL12895015 0.86 UHRF1 (0.42) UHRF1NNMTKDM4EALDH1A1LMNA
SCHEMBL16195787 0.79 UHRF1 (0.45) UHRF1NNMTALDH1A1LMNAITGB3
SCHEMBL5856503 0.79 UHRF1 (0.37) UHRF1NNMTITGB3ITGAVITGB5
SCHEMBL20153296 0.78 UHRF1 (0.51) UHRF1NNMTKDM4EALDH1A1LMNA
SCHEMBL12463306 0.77 ITGAV (0.45) NNMTITGB3ITGAVITGB5ITGB6
SCHEMBL5858127 0.77 NNMT (0.38) UHRF1NNMTITGB3ITGAVITGB5
SCHEMBL5858119 0.77 NNMT (0.38) UHRF1NNMTITGB3ITGAVITGB5
SCHEMBL5858125 0.74 ITGAV (0.34) UHRF1NNMTKLKB1MAP4K1ITGB3
SCHEMBL21281647 0.73 UHRF1 (0.42) UHRF1NNMTITGB3ITGAVITGB5

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
EP-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed