SCHEMBL21780016

SCHEMBL21780016

CNC(=O)NOC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
PLK1 P53350 1/20 0.31
DGAT1 O75907 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL19821955 0.77 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL19703073 0.75 TAS2R38 (0.42) TSHRKMT2AALDH1A1
SCHEMBL14559575 0.73 ALDH1A1 (0.34) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL151549 0.72
SCHEMBL725542 0.72
SCHEMBL4928898 0.72
SCHEMBL24450767 0.70 L3MBTL1 (0.37) DGAT1CYP1A2PKMKMT2A
SCHEMBL4689982 0.70
SCHEMBL1756947 0.70
SCHEMBL14030720 0.69

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
EP-3616753-A1 COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed