SCHEMBL19903801

SCHEMBL19903801

Cc1n[nH]cc1CN1CC[C@@H](O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 7/20 0.46
PDCD1LG2 Q9BQ51 3/20 0.46
PDE5A O76074 1/20 0.43
PDE11A Q9HCR9 1/20 0.43
PDE10A Q9Y233 1/20 0.43
PDCD1 Q15116 4/20 0.42
KDM4E B2RXH2 1/20 0.40
SYK P43405 3/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.38
TLR7 Q9NYK1 2/20 0.38
CCR5 P51681 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL30384759 1.00 CD274 (0.46) CD274PDCD1LG2PDE5APDE11APDE10A
SCHEMBL23863511 0.72 PDE10A (0.48) CD274PDCD1LG2PDE5APDE11APDE10A
SCHEMBL21130555 0.72 PDE10A (0.48) CD274PDCD1LG2PDE5APDE11APDE10A
SCHEMBL14344767 0.71 ACHE (0.64) CD274PDCD1LG2PDCD1MAPTTSHR
SCHEMBL15130361 0.70 LTA4H (0.46) KDM4ETLR7ALDH1A1GAA
SCHEMBL26580970 0.69 CD274 (0.43) CD274PDCD1LG2PDE5APDE11APDE10A
SCHEMBL19903742 0.69 PNP (0.30)
SCHEMBL13463043 0.68 MAPT (0.55) CD274PDCD1LG2PDCD1KDM4EMAPT
SCHEMBL10272308 0.67 ALDH1A1 (0.57) ALDH1A1
SCHEMBL29027742 0.67 ALDH1A1 (0.53) CD274PDCD1KDM4ESYKALDH1A1

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-2804861-B1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS SYK INHIBITORS GENOSCO (US) 2018-02-28 EP disclosed