SCHEMBL9952271

SCHEMBL9952271

COc1c(CCOC(N)=O)cc(Cl)c(C)c1C(O)CN(C(=O)CCl)C(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 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
SCHEMBL9952389 0.85 SLC2A1 (0.34) IMPDH2
SCHEMBL9952270 0.77 REN (0.31)
SCHEMBL17138393 0.76 NPC1 (0.31)
SCHEMBL9952278 0.71 ALDH1A1 (0.38) IMPDH2
SCHEMBL28712872 0.70 ALDH1A1 (0.44) IMPDH2
SCHEMBL9952656 0.66 IMPDH2 (0.34) IMPDH2
SCHEMBL9953206 0.66 IMPDH2 (0.34) IMPDH2
SCHEMBL9952084 0.65 LMNA (0.38) IMPDH2
SCHEMBL9952238 0.65 ADRB2 (0.36) IMPDH2
SCHEMBL9952391 0.62 SLC2A1 (0.34) IMPDH2

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-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed