SCHEMBL29979696

SCHEMBL29979696

CC(NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3C[C@@H](O)[C@H](O)C3)ccc2c1=O)C(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
NFKB1 P19838 1/20 0.34
HTT P42858 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NTRK1 P04629 7/20 0.34
JAK2 O60674 6/20 0.34
EPHA2 P29317 1/20 0.34
FLT4 P35916 1/20 0.34
GSK3B P49841 1/20 0.34
RARB P10826 1/20 0.34
TBXAS1 P24557 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL18313281 1.00 SLC22A2 (0.35) SLC22A2KDM4EALDH1A1LMNAPOLB
SCHEMBL19986992 0.91 KMT2A (0.36) SLC22A2NTRK1JAK2KMT2ACNR1
SCHEMBL29457322 0.91 KMT2A (0.36) SLC22A2NTRK1JAK2KMT2ACNR1
SCHEMBL19986990 0.91 KMT2A (0.36) SLC22A2NTRK1JAK2KMT2ACNR1
SCHEMBL18313580 0.90 KDM4E (0.34) KDM4EALDH1A1LMNAPOLBHPGD
SCHEMBL18312369 0.89 KDM4E (0.36) SLC22A2KDM4EALDH1A1LMNAPOLB
SCHEMBL18313265 0.89 KDM4E (0.36) SLC22A2KDM4EALDH1A1LMNAPOLB
SCHEMBL20531767 0.89 KDM4E (0.36) SLC22A2KDM4EALDH1A1LMNAPOLB
SCHEMBL18313142 0.89 KDM4E (0.36) SLC22A2KDM4EALDH1A1LMNAPOLB
SCHEMBL19784204 0.89 KDM4E (0.36) SLC22A2KDM4EALDH1A1LMNAPOLB

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
CN-109689656-B 7-substituted 1-arylnaphthyridine-3-carboxamides and their use 拜耳股份公司 2022-10-04 CN disclosed