Sugi Predict

Sugi Predict / Compounds / SCHEMBL3879094

SCHEMBL3879094

SCHEMBL3879094

Cc1ccc(C(C)C)cc1OCc1cnc(-c2c(C)cccc2C)nc1N1CCN(C(NC(=O)c2ccc(F)c(-c3nc(C)c(COc4cc(C(C)C)ccc4C)c(N4CCN(CC(N)=O)[C@H](C)C4)n3)c2)C(N)=O)[C@H](C)C1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 10/20 0.40
▸ KIT P10721 1/20 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
SCHEMBL61758 0.83 C5AR1 (0.45) C5AR1KIT
SCHEMBL62282 0.83 C5AR1 (0.52) C5AR1
SCHEMBL62140 0.82 C5AR1 (0.54) C5AR1
SCHEMBL62072 0.82 C5AR1 (0.54) C5AR1
SCHEMBL62182 0.81 C5AR1 (0.46) C5AR1KIT
SCHEMBL27685472 0.80 C5AR1 (0.44) C5AR1KIT
SCHEMBL63627 0.79 C5AR1 (0.44) C5AR1KIT
SCHEMBL61870 0.79 C5AR1 (0.48) C5AR1
SCHEMBL72378 0.78 C5AR1 (0.49) C5AR1KIT
SCHEMBL62722 0.77 C5AR1 (0.46) C5AR1KIT

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-1745033-A4 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORP (US) 2009-08-26 — — EP claimed
EP-1745033-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2007-01-24 — — EP claimed
WO-2005110416-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2005-11-24 — — WO claimed