SCHEMBL14745937

SCHEMBL14745937

N#Cc1ccccc1C1CNCO1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
ADRA1A P35348 2/20 0.35
TSHR P16473 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
DRD4 P21917 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KDM1A O60341 1/20 0.32
MAPK1 P28482 1/20 0.30
HTR2A P28223 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
SCHEMBL138439 0.84 PRKACA (0.50) HTR2CHTR2BPRKACAPRKACGPRKACB
Hydrochloric Acid SCHEMBL12804515 0.83 PRKACA (0.49) HTR2CHTR2BPRKACAPRKACGPRKACB
SCHEMBL29537759 0.78 ADRA1A (0.43) HTR2CHTR2BADRA1ATSHRDRD4
SCHEMBL1499246 0.78 ADRA1A (0.43) HTR2CHTR2BADRA1ATSHRDRD4
SCHEMBL28640497 0.76 HTR2C (0.35) HTR2CHTR2BPRKACAPRKACGPRKACB
SCHEMBL27932733 0.75 KDM1A (0.34) HTR2CHTR2BPRKACAPRKACGPRKACB
SCHEMBL9556375 0.70 MAPKAPK2 (0.38) PRKACAPRKACGPRKACBADRA1ATSHR
SCHEMBL28771523 0.70 PRKACA (0.49) HTR2CHTR2BPRKACAPRKACGPRKACB
SCHEMBL11632150 0.70 PRKACA (0.55) HTR2CHTR2BPRKACAPRKACGPRKACB
SCHEMBL20592264 0.69 TSHR (0.39) HTR2CHTR2BADRA1ATSHRDRD4

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-2751109-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS Incyte Corporation (US) 2014-07-09 EP disclosed
WO-2013033569-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 WO disclosed