SCHEMBL3266414

SCHEMBL3266414

CC(CC(N)=O)c1ncc(F)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.33
ACACB O00763 1/20 0.33
ADAMTS4 O75173 2/20 0.32
MMP13 P45452 2/20 0.32
MMP14 P50281 2/20 0.32
KCNH2 Q12809 2/20 0.32
CYP3A4 P08684 1/20 0.32
MMP1 P03956 1/20 0.32
DPP9 Q86TI2 1/20 0.31
AURKA O14965 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
FPR2 P25090 1/20 0.30
SCN9A Q15858 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
SCHEMBL3728573 0.78 APLNR (0.50) APLNRKCNH2DPP9FPR2SCN9A
SCHEMBL12463409 0.72 JAK2 (0.33) APLNRADAMTS4MMP13MMP14KCNH2
SCHEMBL18428183 0.72 JAK2 (0.33) APLNRADAMTS4MMP13MMP14KCNH2
SCHEMBL20200794 0.72 ADAMTS4 (0.32) ADAMTS4MMP13MMP14KCNH2CYP3A4
SCHEMBL20188375 0.71 APLNR (0.40) APLNRADAMTS4MMP13MMP14KCNH2
SCHEMBL20188351 0.71 APLNR (0.40) APLNRADAMTS4MMP13MMP14KCNH2
SCHEMBL20190107 0.71 APLNR (0.40) APLNRADAMTS4MMP13MMP14KCNH2
SCHEMBL14060678 0.71 APLNR (0.33) APLNRAGBL2ACACB
SCHEMBL1396189 0.71 AKR1C3 (0.35) APLNRAGBL2MMP13GAA
SCHEMBL29690056 0.71 FFAR2 (0.35) APLNRAGBL2

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-2010020810-A1 2-(IMIDAZ0LYLAMIN0)-PYRIDINE DERIVATIVES AND THEIR USE AS JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-02-25 WO disclosed