SCHEMBL22150548

SCHEMBL22150548

CC(C)(C)OC(=O)N1CC[C@H](CNc2ccc(C(N)=O)cc2N)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.52
▸ TDO2 P48775 1/20 0.52
▸ PTGER4 P35408 1/20 0.48
▸ GPR119 Q8TDV5 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ JAK2 O60674 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ PTK2 Q05397 1/20 0.45
▸ CHEK2 O96017 5/20 0.45
▸ ACKR3 P25106 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ BRD3 Q15059 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ IRAK1 P51617 1/20 0.41

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
SCHEMBL22121339 0.94 KDM4E (0.53) IDO1TDO2PTGER4GPR119KDM4E
SCHEMBL22150045 0.90 GPR119 (0.46) IDO1TDO2GPR119KDM4EPKM
SCHEMBL22121217 0.87 GPR119 (0.51) GPR119KDM4EPKMCHEK2
SCHEMBL21511698 0.85 PTGER4 (0.51) IDO1TDO2PTGER4KDM4ECHEK2
SCHEMBL21496879 0.85 PTGER4 (0.51) IDO1TDO2PTGER4KDM4ECHEK2
SCHEMBL29848332 0.83 IDO1 (0.51) IDO1TDO2PTGER4GPR119KDM4E
SCHEMBL2429883 0.82 IDO1 (0.51) IDO1TDO2GPR119KDM4EPKM
SCHEMBL13834763 0.81 IDO1 (0.55) IDO1TDO2GPR119KDM4EPKM
SCHEMBL22716710 0.81 KDM4E (0.52) IDO1TDO2PTGER4GPR119KDM4E
SCHEMBL22121263 0.80 KMT2A (0.53) GPR119KDM4EPKMCHEK2

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-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
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