SCHEMBL18399080

SCHEMBL18399080

OC1CCN(c2ccc3cn[nH]c3c2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.48
SYK P43405 4/20 0.46
AR P10275 1/20 0.45
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
METAP2 P50579 5/20 0.43
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
SLC6A3 Q01959 2/20 0.41
GABRA1 P14867 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL30837522 0.80 NOS1 (0.52) SYKMETAP2KDM4EMEN1MAPT
SCHEMBL9983829 0.78 AR (0.48) ABL1ARCDK1CDK2SLC40A1
SCHEMBL29039315 0.77 NOS1 (0.49) SYKMETAP2KDM4EMEN1MAPT
SCHEMBL30385421 0.77 NOS1 (0.49) SYKMETAP2KDM4EMEN1MAPT
SCHEMBL3190345 0.77 MAPT (0.49) ABL1SYKMETAP2SLC6A3KDM4E
SCHEMBL5094880 0.76 HTR6 (0.45) SYKKDM4EMEN1MAPTKMT2A
SCHEMBL30469212 0.76 TERT (0.53) SYKMETAP2KDM4EMEN1MAPT
SCHEMBL18399012 0.75 SYK (0.59) SYKMETAP2KDM4EMEN1MAPT
SCHEMBL29539832 0.75 PDGFRB (0.55) SYKMETAP2KDM4EMEN1MAPT
SCHEMBL29728069 0.75 SYK (0.59) SYKMETAP2KDM4EMEN1MAPT

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-3325449-A1 COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-05-30 EP disclosed
WO-2017012576-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 WO disclosed