SCHEMBL13496009

SCHEMBL13496009

C[C@@H]1CCN(CP)C[C@@H]1N(C)c1nc(F)nn2cccc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.38
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.37
TYK2 P29597 1/20 0.37
SPR P35270 1/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 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
SCHEMBL12395224 0.87 JAK3 (0.52) JAK3JAK2JAK1TYK2DRD2
SCHEMBL12395136 0.78 JAK3 (0.53) JAK3JAK2JAK1TYK2
SCHEMBL12395223 0.77 CHEK2 (0.30)
SCHEMBL12395222 0.75 JAK3 (0.54) JAK3JAK2JAK1TYK2DRD2
SCHEMBL12395231 0.69 JAK3 (0.60) JAK3JAK2JAK1TYK2DRD2
SCHEMBL12395135 0.66 JAK3 (0.56) JAK3JAK2JAK1TYK2
SCHEMBL9920437 0.64 JAK2 (0.50) JAK3JAK2JAK1TYK2DRD2
SCHEMBL12395138 0.63 MAP4K4 (0.47) JAK3JAK2JAK1TYK2
SCHEMBL12395344 0.62 JAK3 (0.50) JAK3JAK2JAK1TYK2
SCHEMBL12395117 0.60 JAK3 (0.63) JAK3JAK2JAK1TYK2

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
WO-2010014930-A2 THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-02-04 WO disclosed