Sugi Predict

Sugi Predict / Compounds / SCHEMBL853780

SCHEMBL853780

SCHEMBL853780

CCCCCNc1nc(C)c(Cc2cccc(OCCN3CCCC3)c2)c(N)n1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 8/20 0.58
▸ TLR7 Q9NYK1 9/20 0.54
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ LTA4H P09960 1/20 0.47

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
SCHEMBL861371 0.99 DHFR (0.57) DHFRTLR7KDM4EALDH1A1SMN1; SMN2
SCHEMBL853436 0.89 TLR7 (0.54) TLR7LTA4H
SCHEMBL3695333 0.86 TLR7 (0.72) DHFRTLR7
SCHEMBL861355 0.86 TLR7 (0.56) TLR7LTA4H
SCHEMBL3700249 0.85 TLR7 (0.71) DHFRTLR7
SCHEMBL854017 0.84 DHFR (0.62) DHFRTLR7
SCHEMBL853483 0.84 DHFR (0.62) DHFRTLR7
SCHEMBL853209 0.83 DHFR (0.59) DHFRTLR7
SCHEMBL861830 0.80 TLR7 (0.60) TLR7
SCHEMBL19056693 0.79 DHFR (0.66) DHFRTLR7KDM4EALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432768-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES AstraZeneca AB (SE) 2012-03-28 — — EP disclosed
WO-2010133885-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES ASTRAZENECA AB (SE) 2010-11-25 — — WO disclosed