SCHEMBL3947864

SCHEMBL3947864

O=C(O)NCC(O)c1ccc(F)cn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APLNR P35414 6/20 0.42
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 3/20 0.41
JAK3 P52333 3/20 0.41
BCAT2 O15382 1/20 0.35
P2RX7 Q99572 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AGBL2 Q5U5Z8 1/20 0.33
NR1I2 O75469 1/20 0.33

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
SCHEMBL17611109 0.81 MAOB (0.41)
SCHEMBL4023229 0.80 APLNR (0.41) APLNRAGBL2
SCHEMBL20470281 0.79 APLNR (0.39) APLNRJAK2JAK1TYK2JAK3
SCHEMBL3700412 0.79 APLNR (0.45) APLNRRAB9ASMN1; SMN2
SCHEMBL20819365 0.75 ADRB2 (0.52) APLNR
SCHEMBL31074254 0.75 ADRB2 (0.52) APLNR
SCHEMBL20819364 0.75 ADRB2 (0.52) APLNR
SCHEMBL5751931 0.75 BCAT2 (0.51) BCAT2NPC1RAB9ASMN1; SMN2
SCHEMBL20430458 0.75 BCAT2 (0.51) BCAT2NPC1RAB9ASMN1; SMN2
SCHEMBL25171599 0.75 LMNA (0.44) NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009095712-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-08-06 WO disclosed
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
WO-2008132502-A1 PYRAZOLYL-AMINO-SUBSTITUTED PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-06 WO disclosed