SCHEMBL18306016

SCHEMBL18306016

O=C(N[C@H](C1CC1)C(F)(F)F)Oc1cn(-c2c(F)cc(F)cc2Cl)c2nc(Cl)ccc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.32
ULK2 Q8IYT8 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
STK17A Q9UEE5 1/20 0.32
P2RX7 Q99572 1/20 0.31
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30
KCNH2 Q12809 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
SCHEMBL18306067 0.90 P2RX7 (0.37) ULK1ULK2MKNK2STK17AP2RX7
SCHEMBL20531898 0.89 P2RX7 (0.36) ULK1ULK2MKNK2STK17AP2RX7
SCHEMBL18313598 0.89 P2RX7 (0.36) ULK1ULK2MKNK2STK17AP2RX7
SCHEMBL18313617 0.89 P2RX7 (0.36) ULK1ULK2MKNK2STK17AP2RX7
SCHEMBL18305984 0.89 P2RX7 (0.35) ULK1ULK2MKNK2STK17AP2RX7
SCHEMBL18306085 0.88 KMT2A (0.39) ULK1ULK2MKNK2STK17AJAK2
SCHEMBL18313197 0.85 P2RX7 (0.37) ULK1ULK2MKNK2STK17AP2RX7
SCHEMBL20531942 0.85 P2RX7 (0.37) ULK1ULK2MKNK2STK17AP2RX7
SCHEMBL18313424 0.85 ULK1 (0.36) ULK1ULK2MKNK2STK17AP2RX7
SCHEMBL19987097 0.85 ULK1 (0.36) ULK1ULK2MKNK2STK17AP2RX7

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-3307741-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2018-04-18 EP disclosed
WO-2016198342-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-15 WO disclosed