SCHEMBL21548093

SCHEMBL21548093

CCNC(CO)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.36
ITGB7 P26010 2/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
CTSK P43235 5/20 0.34
CTSS P25774 3/20 0.34
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
DGAT1 O75907 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL880556 1.00 ITGA4 (0.36) ITGA4ITGB7PDCD1CD274CYP1A2
SCHEMBL27926587 0.84 CTSK (0.39) CTSKCTSSTDP1CA1CA2
SCHEMBL7365479 0.84 CTSK (0.39) CTSKCTSSTDP1CA1CA2
SCHEMBL8328454 0.83 ITGA4 (0.35) ITGA4ITGB7CYP1A2CYP2C9CYP2C19
SCHEMBL25455581 0.81 MAPK1 (0.36) ITGA4ITGB7CYP1A2CYP2C9CYP2C19
SCHEMBL853630 0.81 GGT1 (0.38) ITGA4ITGB7PDCD1CD274CYP1A2
SCHEMBL27922427 0.81 NPSR1 (0.46) CYP1A2CYP2C9CYP2C19CTSKCTSS
SCHEMBL853631 0.81 GGT1 (0.38) ITGA4ITGB7PDCD1CD274CYP1A2
SCHEMBL27922423 0.81 NPSR1 (0.46) CYP1A2CYP2C9CYP2C19CTSKCTSS
Hydrochloric Acid SCHEMBL320059 0.80 NPSR1 (0.45) CYP1A2CYP2C9CYP2C19CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107118209-B Pyrido [3,4-b ] indolylurea compounds and application thereof as IDO (intermediate compound) inhibitor 西华大学 2019-06-25 CN claimed
CN-107118209-A Pyrido [3,4-b ] indolylurea compounds and application thereof as IDO (intermediate compound) inhibitor 西华大学 2017-09-01 CN claimed
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed
CN-107118209-B Pyrido [3,4-b ] indolylurea compounds and application thereof as IDO (intermediate compound) inhibitor 西华大学 2019-06-25 CN disclosed
CN-107118209-A Pyrido [3,4-b ] indolylurea compounds and application thereof as IDO (intermediate compound) inhibitor 西华大学 2017-09-01 CN disclosed
CN-105616408-A Use of pyridino[3,4-b]indol derivative as IDO inhibitor UNIV XIHUA 2016-06-01 CN disclosed
CN-101421609-A The method relevant, potpourri, kit and composition with analyte determination APPLERA CORP (US) 2009-04-29 CN disclosed