SCHEMBL28509243

SCHEMBL28509243

CC1=CC=C(N)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.39
KDM1A O60341 1/20 0.36
ADORA1 P30542 2/20 0.34
ESR2 Q92731 1/20 0.34
KMT2A Q03164 1/20 0.33
CTSK P43235 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL342604 0.74 NR1H2 (0.33) NR1H2KDM1AESR2KMT2AUSP2
SCHEMBL4242555 0.74 PLAT (0.35) NR1H2KDM1AMAPK1GPR119
SCHEMBL29603337 0.72 ESR2 (0.31) NR1H2KDM1AESR2KMT2ACTSK
SCHEMBL4439029 0.71 NR1H2 (0.42) NR1H2ADORA1ESR2USP2SMN1; SMN2
SCHEMBL9442950 0.71 ESR2 (0.37) NR1H2KDM1AESR2USP2SMN1; SMN2
SCHEMBL27233080 0.70 NAMPT (0.33) NR1H2ESR2MAPK1
SCHEMBL7309434 0.70 NR1H2 (0.38) NR1H2KDM1AADORA1ESR2KMT2A
SCHEMBL31218507 0.69 CHRM2 (0.44) NR1H2KDM1AESR2CTSKUSP2
SCHEMBL14112126 0.68 USP2 (0.40) NR1H2KDM1AESR2KMT2ACTSK
SCHEMBL7307321 0.68 NR1H2 (0.41) NR1H2KDM1AADORA1ESR2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300059-B Preparation method of PF-06651600 intermediate 广东东阳光药业股份有限公司 2024-01-16 CN disclosed
CN-112300059-A Preparation method of PF-06651600 intermediate 广东东阳光药业有限公司 2021-02-02 CN disclosed