SCHEMBL4741216

SCHEMBL4741216

COc1cc2c(cc1S(=O)(=O)N1CCOCC1)-c1c(nc(N)[nH]c1=O)CC2

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYMS P04818 17/20 0.53
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4738537 0.86 TYMS (0.65) TYMS
SCHEMBL4738561 0.84 TSHR (0.48) ALDH1A1
SCHEMBL4741147 0.79 ALDH1A1 (0.45) ALDH1A1
SCHEMBL4737442 0.77 MAPT (0.41) ALDH1A1
SCHEMBL4741212 0.75 KMT2A (0.49) ALDH1A1
SCHEMBL4787519 0.73 TSHR (0.46) ALDH1A1
SCHEMBL4739962 0.72 TYMS (0.82) TYMS
Hydrochloric Acid SCHEMBL6648356 0.71 TYMS (0.80) TYMS
SCHEMBL6655151 0.70 TYMS (1.00) TYMS
SCHEMBL6652286 0.69 TYMS (1.00) TYMS

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
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed