Sugi Predict

Sugi Predict / Compounds / SCHEMBL14419014

SCHEMBL14419014

SCHEMBL14419014

O=C1Cc2ccccc2N1C1CCN(Cc2ccc(-c3nc4cc5[nH]ncc5cc4nc3-c3ccccc3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 14/20 0.66
▸ AKT2 P31751 9/20 0.66
▸ AKT3 Q9Y243 6/20 0.66
▸ OPRM1 P35372 3/20 0.58
▸ OPRL1 P41146 3/20 0.58
▸ OPRK1 P41145 2/20 0.58
▸ CTSS P25774 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ RUVBL1 Q9Y265 1/20 0.45
▸ EGFR P00533 1/20 0.43

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
SCHEMBL14419015 1.00 AKT1 (0.66) AKT1AKT2AKT3OPRM1OPRL1
SCHEMBL14419016 0.87 OPRM1 (0.58) AKT1AKT2AKT3OPRM1OPRL1
SCHEMBL12394836 0.85 OPRM1 (0.58) AKT1AKT2AKT3OPRM1OPRL1
SCHEMBL1859464 0.80 OPRL1 (0.86) OPRM1OPRL1OPRK1CTSS
SCHEMBL13869097 0.80 OPRL1 (0.73) AKT1AKT2OPRM1OPRL1OPRK1
SCHEMBL14419056 0.79 AKT1 (1.00) AKT1AKT2AKT3TDP1RUVBL1
SCHEMBL14419057 0.79 AKT1 (1.00) AKT1AKT2AKT3TDP1RUVBL1
SCHEMBL181682 0.76 OPRM1 (1.00) OPRM1OPRL1OPRK1
SCHEMBL14419022 0.75 HTR2B (0.70) AKT1AKT2AKT3
SCHEMBL14419021 0.75 HTR2B (0.70) AKT1AKT2AKT3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273869-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-09-25 — — US disclosed