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SCHEMBL14977403

SCHEMBL14977403

CC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4ccccc4)nc4cccnc43)cc2)CCC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 12/20 0.55
▸ ITGB1 P05556 6/20 0.48
▸ ITGA4 P13612 6/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ AKT2 P31751 1/20 0.47
▸ CYP3A4 P08684 2/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL14329951 0.88 AKT1 (0.51) AKT1CNR1CNR2AKT2
SCHEMBL14975634 0.86 CNR1 (0.50) AKT1CNR1CNR2AKT2
SCHEMBL14329960 0.85 AKT1 (0.64) AKT1CNR1CNR2AKT2CYP2C9
SCHEMBL14977636 0.84 AKT1 (0.48) AKT1CNR1CNR2AKT2CYP3A4
SCHEMBL14329958 0.84 AKT1 (0.48) AKT1ITGB1ITGA4CNR1CNR2
SCHEMBL30446264 0.83 AKT1 (0.81) AKT1AKT2CYP3A4CYP2C9
SCHEMBL12419899 0.83 AKT1 (0.81) AKT1AKT2CYP3A4CYP2C9
SCHEMBL14976591 0.83 AKT1 (0.46) AKT1CNR1CNR2AKT2CYP3A4
SCHEMBL14329954 0.82 AKT1 (0.46) AKT1CNR1CNR2AKT2
SCHEMBL14976492 0.82 CYP1A2 (0.49) AKT1CNR1CNR2AKT2CYP3A4

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
WO-2013078254-A1 BICYCLIC HETEROARYL DERIVATIVES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-05-30 — — WO disclosed
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