SCHEMBL20180773

SCHEMBL20180773

COc1nc[nH]c(=O)c1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.43
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SRC P12931 1/20 0.39
PARP1 P09874 5/20 0.39
CHEK1 O14757 1/20 0.39
PIM1 P11309 1/20 0.39
RPS6KA3 P51812 1/20 0.39
BCAT2 O15382 1/20 0.38
ABL1 P00519 1/20 0.37
KMT2A Q03164 1/20 0.37
RIN1 Q13671 1/20 0.37
MAPT P10636 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 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
SCHEMBL8404474 0.75
SCHEMBL23583914 0.74 HPGD (0.46) PDPK1HPGDALDH1A1SRCPARP1
SCHEMBL21376427 0.74 PDPK1 (0.38) PDPK1HPGDALDH1A1SRCABL1
SCHEMBL12138874 0.72 ALDH1A1 (0.40) PDPK1HPGDALDH1A1SRCPARP1
SCHEMBL12778266 0.72
SCHEMBL3521901 0.71 IP6K1 (0.52) HPGDALDH1A1ABL1RIN1MAPT
SCHEMBL15859702 0.71 PARP1 (0.45) PDPK1HPGDSRCPARP1BCAT2
SCHEMBL21273026 0.71
SCHEMBL6765002 0.71
SCHEMBL17163985 0.69 KDM5B (0.55) PARP1PIM1RPS6KA3ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 EP disclosed
WO-2018097945-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC. (US) 2018-05-31 WO disclosed
WO-2018093579-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed