SCHEMBL9516035

SCHEMBL9516035

O=P(O)(O)C=CCc1nc2ncncc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
ENPP1 P22413 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGAV P06756 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
SCHEMBL9691690 0.81 METAP2 (0.39) METAP2METAP1ENPP1ITGB3ITGAV
SCHEMBL4959250 0.80 METAP2 (0.36) METAP2METAP1ENPP1ITGB3ITGAV
SCHEMBL1079071 0.75 METAP2 (0.41) METAP2METAP1ENPP1
SCHEMBL3044434 0.73 METAP2 (0.35) METAP2METAP1ENPP1
SCHEMBL9936013 0.73 METAP2 (0.44) METAP2METAP1ENPP1ITGB3ITGAV
SCHEMBL9572857 0.73 METAP2 (0.44) METAP2METAP1ENPP1ITGB3ITGAV
SCHEMBL4957389 0.73 METAP2 (0.44) METAP2METAP1ENPP1ITGB3ITGAV
SCHEMBL3054572 0.71 METAP2 (0.34) METAP2METAP1ENPP1
SCHEMBL1443066 0.70 METAP2 (0.42) METAP2METAP1ENPP1
SCHEMBL6485 0.70 METAP2 (0.42) METAP2METAP1ENPP1ITGB3ITGAV

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-0338887-B1 Phosphonoalkylpurine derivatives MERRELL DOW PHARMA (US) 1993-12-08 EP disclosed
EP-0338887-A1 Phosphonoalkylpurine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-10-25 EP disclosed