SCHEMBL19744093

SCHEMBL19744093

Cc1cc(C(N)=O)ncc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.37
UCHL1 P09936 1/20 0.35
NNMT P40261 2/20 0.35
LIPE Q05469 3/20 0.34
FFAR1 O14842 1/20 0.34
LCK P06239 1/20 0.33
KMT2A Q03164 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
USP30 Q70CQ3 1/20 0.32
APP P05067 1/20 0.32
F2 P00734 1/20 0.32
F11 P03951 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
DGAT1 O75907 1/20 0.31

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
SCHEMBL27138377 0.87 LIPE (0.35) UCHL1LIPEFFAR1PDGFRBKDR
SCHEMBL9943204 0.83 LIPE (0.40) UCHL1LIPELCKDGAT1
SCHEMBL27136595 0.83 UCHL1 (0.36) UCHL1LIPEFFAR1USP30GSK3A
SCHEMBL29653311 0.83 LIPE (0.40) UCHL1LIPELCKDGAT1
SCHEMBL17863621 0.83 LIPE (0.33) UCHL1LIPEFFAR1USP30GSK3A
SCHEMBL17841659 0.81 CNR1 (0.42) KMT2A
SCHEMBL27139969 0.81 GSK3A (0.40) UCHL1LIPEFFAR1GSK3AGSK3B
SCHEMBL27140662 0.81 USP30 (0.33) UCHL1LIPEUSP30
SCHEMBL24667122 0.80 UCHL1 (0.36) UCHL1LIPEFFAR1USP30GSK3A
SCHEMBL28811820 0.79 NNMT (0.38) SIRT6UCHL1NNMTLIPEPDGFRB

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
EP-3472166-A1 IMIDAZOPYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER Novartis AG (CH) 2019-04-24 EP disclosed
WO-2017221100-A1 IMIDAZOPYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2017-12-28 WO disclosed