SCHEMBL19784065

SCHEMBL19784065

O=C(NC(C1CC1)C(F)(F)F)c1cn(-c2ncc(F)cc2Cl)c2nc(N3CC4CC4C3)ccc2c1=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.34
ULK2 Q8IYT8 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
STK17A Q9UEE5 1/20 0.34
SLC22A2 O15244 2/20 0.32
P2RX7 Q99572 1/20 0.32
KMT2A Q03164 2/20 0.32
GRM4 Q14833 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
JAK2 O60674 4/20 0.32
JAK3 P52333 4/20 0.32
CHRM4 P08173 1/20 0.31
HTR3A P46098 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KCNH2 Q12809 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
SCHEMBL19783927 0.93 ULK1 (0.35) ULK1ULK2MKNK2STK17ASLC22A2
SCHEMBL21220085 0.93 ULK1 (0.35) ULK1ULK2MKNK2STK17ASLC22A2
SCHEMBL19783930 0.93 ULK1 (0.35) ULK1ULK2MKNK2STK17ASLC22A2
SCHEMBL19783929 0.93 ULK1 (0.35) ULK1ULK2MKNK2STK17ASLC22A2
SCHEMBL21220035 0.93 ULK1 (0.35) ULK1ULK2MKNK2STK17ASLC22A2
SCHEMBL22590970 0.91 ULK1 (0.35) ULK1ULK2MKNK2STK17AP2RX7
SCHEMBL19784186 0.88 TRPV1 (0.36) P2RX7KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL19783507 0.88 ULK1 (0.38) ULK1ULK2MKNK2STK17ASLC22A2
SCHEMBL19783509 0.88 ULK1 (0.38) ULK1ULK2MKNK2STK17ASLC22A2
SCHEMBL19784061 0.88 ULK1 (0.32) ULK1ULK2MKNK2STK17ASLC22A2

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-2018011017-A1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-18 WO disclosed