SCHEMBL14843471

SCHEMBL14843471

CC1c2c(nc(-c3ccc(NC(=O)NC4CC4)cc3)nc2N2CC3CCC(C2)O3)CS1(O)O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 15/20 0.62
▸ PIK3CA P42336 14/20 0.62
▸ PIK3CB P42338 1/20 0.53

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
SCHEMBL14843472 0.91 MTOR (0.62) MTORPIK3CAPIK3CB
SCHEMBL14842740 0.87 MTOR (0.53) MTORPIK3CA
SCHEMBL14843227 0.83 MTOR (0.67) MTORPIK3CAPIK3CB
SCHEMBL14843596 0.83 MTOR (0.47) MTORPIK3CA
SCHEMBL14843229 0.81 MTOR (0.78) MTORPIK3CAPIK3CB
SCHEMBL14842905 0.81 MTOR (0.57) MTORPIK3CA
SCHEMBL14843064 0.81 MTOR (0.57) MTORPIK3CA
SCHEMBL17836772 0.81 MTOR (0.57) MTORPIK3CA
SCHEMBL14842902 0.81 MTOR (0.57) MTORPIK3CA
SCHEMBL14843222 0.81 MTOR (0.57) MTORPIK3CA

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-2763985-B1 {(4-(4-MORPHOLINO-DIHYDROTHIENO[3,4-D]PYRIMIDIN-2-YL)ARYL}UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS CELLZOME LTD (GB) 2016-06-22 — — EP claimed
EP-2763985-A1 MORPHOLINO SUBSTITUTED BICYCLIC PYRIMIDINE UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS Cellzome Limited (GB) 2014-08-13 — — EP disclosed
WO-2013050508-A1 MORPHOLINO SUBSTITUTED BICYCLIC PYRIMIDINE UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2013-04-11 — — WO disclosed
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