SCHEMBL4574883

SCHEMBL4574883

C[C@@H]1CN(Cc2cccc(F)c2F)CC[N]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
GAA P10253 1/20 0.41
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
RORC P51449 6/20 0.39
ALDH1A1 P00352 2/20 0.39
AR P10275 1/20 0.38
SCN1A P35498 3/20 0.38
SCN8A Q9UQD0 3/20 0.38
CHRM4 P08173 1/20 0.38
CYP2A13 Q16696 1/20 0.37
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4574119 0.81 RIPK1 (0.36) RORCALDH1A1CHRM4
SCHEMBL3965653 0.77 ALDH1A1 (0.50) JAK2JAK3GAARORCALDH1A1
SCHEMBL14708215 0.77 JAK2 (0.52) JAK2JAK3GAAJAK1TYK2
SCHEMBL4574387 0.76 JAK2 (0.44) JAK2JAK3GAAJAK1TYK2
SCHEMBL11742027 0.73 ACHE (0.53) ALDH1A1POLB
SCHEMBL16477300 0.72 JAK2 (0.48) JAK2JAK3GAAJAK1TYK2
SCHEMBL6803849 0.72 ALDH1A1 (0.70) GAAALDH1A1ARCYP2A13POLB
SCHEMBL6384809 0.71 ALDH1A1 (0.50) GAAALDH1A1ARCYP2A13POLB
SCHEMBL30341108 0.71 ALDH1A1 (0.73) GAAALDH1A1ARCYP2A13POLB
SCHEMBL6943859 0.69 ATM (0.49) JAK2JAK3GAARORCALDH1A1

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-2008134035-A1 ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed