SCHEMBL19783920

SCHEMBL19783920

O=C(N[C@H](C1CC1)C(F)(F)F)c1cn(-c2ncc(F)cc2Cl)c2nc(N3CC(O)CC3=O)ccc2c1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.33
ULK2 Q8IYT8 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
STK17A Q9UEE5 1/20 0.33
CHRM4 P08173 1/20 0.32
P2RX7 Q99572 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
KCNH2 Q12809 1/20 0.31
SLC22A2 O15244 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
SCHEMBL19783919 1.00 ULK1 (0.33) ULK1ULK2MKNK2STK17ACHRM4
SCHEMBL21220094 1.00 ULK1 (0.33) ULK1ULK2MKNK2STK17ACHRM4
SCHEMBL21220070 0.93 ULK1 (0.34) ULK1ULK2MKNK2STK17AJAK2
SCHEMBL19783950 0.93 ULK1 (0.34) ULK1ULK2MKNK2STK17AJAK2
SCHEMBL19783951 0.93 ULK1 (0.34) ULK1ULK2MKNK2STK17AJAK2
SCHEMBL19783532 0.93 ULK1 (0.34) ULK1ULK2MKNK2STK17AJAK2
SCHEMBL20531857 0.90 P2RX7 (0.33) ULK1ULK2MKNK2STK17AP2RX7
SCHEMBL22331782 0.90 P2RX7 (0.33) ULK1ULK2MKNK2STK17AP2RX7
SCHEMBL18312997 0.90 P2RX7 (0.33) ULK1ULK2MKNK2STK17AP2RX7
SCHEMBL21220083 0.89 P2RX7 (0.35) P2RX7KCNH2

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-3481823-B1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF Bayer Pharma AG (DE) 2020-10-28 EP disclosed
WO-2018011017-A1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-18 WO disclosed