Morpholine

Morpholine

SCHEMBL5764394

C1COCCN1.CCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(NC(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.52
MAP4K4 O95819 3/20 0.52
RET P07949 2/20 0.52
GAK O14976 1/20 0.52
RIPK2 O43353 1/20 0.52
ULK1 O75385 1/20 0.52
STK10 O94804 1/20 0.52
PRKD3 O94806 1/20 0.52
LATS1 O95835 1/20 0.52
PAK4 O96013 1/20 0.52
NTRK1 P04629 1/20 0.52
LCK P06239 1/20 0.52
CDK1 P06493 1/20 0.52
APRT P07741 1/20 0.52
PDGFRB P09619 1/20 0.52
PHKG2 P15735 1/20 0.52
NQO2 P16083 1/20 0.52
PDGFRA P16234 1/20 0.52
FECH P22830 1/20 0.52
CDK2 P24941 1/20 0.52

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
SCHEMBL5764392 0.88 MAP4K4 (0.51) IRAK4MAP4K4RETGAKRIPK2
SCHEMBL5765302 0.87 GAK (0.52) IRAK4MAP4K4RETGAKRIPK2
SCHEMBL3842680 0.86 IRAK4 (0.52) IRAK4MAP4K4RETGAKRIPK2
Morpholine SCHEMBL5792619 0.85 IRAK4 (0.70) IRAK4MAP4K4RETGAKRIPK2
SCHEMBL4678752 0.85 MAP4K4 (0.73) IRAK4MAP4K4RETGAKRIPK2
SCHEMBL5766532 0.85 MAP4K4 (0.54) IRAK4MAP4K4RETGAKRIPK2
Morpholine SCHEMBL5767097 0.84 IRAK4 (0.69) IRAK4MAP4K4RETGAKRIPK2
SCHEMBL5765030 0.83 MAP4K4 (0.51) IRAK4MAP4K4RETGAKRIPK2
SCHEMBL5765202 0.83 MAP4K4 (0.51) IRAK4MAP4K4RETGAKRIPK2
SCHEMBL3840314 0.83 MAP4K4 (0.48) IRAK4MAP4K4RETGAKRIPK2

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
US-7019147-B1 Benzimidazole derivatives useful as antiproliferative agents PFIZER INC. (US) 2006-03-28 US disclosed
EP-1235825-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2006-01-25 EP disclosed