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Sugi Predict / Compounds / SCHEMBL8566814

SCHEMBL8566814

SCHEMBL8566814

Nc1nc(N)c2c(n1)CCC2CCCc1ccc(C(=O)O)s1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FOLR1 P15328 1/20 0.39
▸ PTGER3 P43115 4/20 0.38
▸ PTGER2 P43116 4/20 0.38
▸ PTGDR Q13258 3/20 0.38
▸ PTGER1 P34995 1/20 0.37
▸ DHFR P00374 1/20 0.35
▸ MTR Q99707 1/20 0.35

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
SCHEMBL8563180 0.83 FOLR1 (0.51) FOLR1DHFRMTR
SCHEMBL8567466 0.79 MTR (0.41) DHFRMTR
SCHEMBL8566937 0.74 MTR (0.44) DHFRMTR
SCHEMBL9849759 0.70 FOLR1 (0.44) FOLR1DHFR
SCHEMBL9849753 0.70 FOLR1 (0.47) FOLR1DHFR
SCHEMBL8567642 0.70 DHFR (0.45) DHFR
SCHEMBL8569124 0.70 DHFR (0.37) DHFRMTR
SCHEMBL9850018 0.69 FOLR1 (0.43) FOLR1DHFR
SCHEMBL9439499 0.68 DHFR (0.46) FOLR1DHFR
SCHEMBL8565167 0.68 MTR (0.35) DHFRMTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530579-B1 Condensed pyrimidine derivatives antitumor agents EISAI CO LTD (JP) 1998-11-11 — — EP disclosed
US-5554615-A ANTITUMOR EISAI CO., LTD. (JP) 1996-09-10 — — US disclosed
EP-0530579-A1 Condensed pyrimidine derivatives antitumor agents Eisai Co., Ltd. (JP) 1993-03-10 — — EP disclosed