SCHEMBL20200614

SCHEMBL20200614

C[C@@H](CSF)c1ncc(F)cn1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.32
CYP3A4 P08684 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
KCNH2 Q12809 1/20 0.32
JAK2 O60674 3/20 0.31
JAK3 P52333 2/20 0.31

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
SCHEMBL20200794 0.84 ADAMTS4 (0.32) ADAMTS4CYP3A4MMP13MMP14KCNH2
SCHEMBL12463409 0.77 JAK2 (0.33) ADAMTS4CYP3A4MMP13MMP14KCNH2
SCHEMBL18428183 0.77 JAK2 (0.33) ADAMTS4CYP3A4MMP13MMP14KCNH2
SCHEMBL2625465 0.71 PTGS1 (0.36) JAK2JAK3
SCHEMBL5883435 0.71 ADAMTS4 (0.36) ADAMTS4CYP3A4MMP13MMP14KCNH2
SCHEMBL21859524 0.71 JAK2 (0.37) JAK2JAK3
SCHEMBL20190946 0.69 APLNR (0.41) ADAMTS4CYP3A4MMP13MMP14KCNH2
SCHEMBL20200600 0.69 APLNR (0.41) ADAMTS4CYP3A4MMP13MMP14KCNH2
SCHEMBL20188961 0.69 APLNR (0.41) ADAMTS4CYP3A4MMP13MMP14KCNH2
SCHEMBL19232123 0.68 GPR84 (0.37) JAK2JAK3

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-3541792-B1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 WO disclosed