SCHEMBL28845667

SCHEMBL28845667

CCc1ccccc1NC(=O)c1cccc(Nc2ccnc3cc(C(F)(F)F)ccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.55
KCNK9 Q9NPC2 1/20 0.55
DNMT1 P26358 4/20 0.55
DNMT3A Q9Y6K1 4/20 0.55
AURKA O14965 1/20 0.47
GAK O14976 2/20 0.47
DNMT3L Q9UJW3 3/20 0.47
EHMT1 Q9H9B1 2/20 0.47
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
MARK3 P27448 1/20 0.46
KDR P35968 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
PRKCZ Q05513 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PAK1 Q13153 1/20 0.46
STK3 Q13188 1/20 0.46
TAOK1 Q7L7X3 1/20 0.46

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
SCHEMBL28845668 0.89 GAA (0.60) DNMT1DNMT3AAURKAGAKDNMT3L
SCHEMBL28845675 0.88 DNMT1 (0.68) KCNK3DNMT1DNMT3AAURKAGAK
SCHEMBL28845637 0.86 DNMT1 (0.52) DNMT1DNMT3AAURKAGAKDNMT3L
SCHEMBL28845687 0.84 ALDH1A1 (0.57) DNMT1DNMT3AAURKAGAKDNMT3L
SCHEMBL28845693 0.84 MEN1 (0.61) KCNK3KCNK9DNMT1DNMT3AAURKA
SCHEMBL29809955 0.84 MEN1 (0.61) KCNK3KCNK9DNMT1DNMT3AAURKA
SCHEMBL29200469 0.82 GAK (0.55) DNMT1DNMT3AAURKAGAKGSK3A
SCHEMBL28845688 0.82 DNMT1 (0.63) DNMT1DNMT3AAURKAGAKDNMT3L
SCHEMBL28845648 0.82 NPSR1 (0.56) DNMT1DNMT3AAURKAGAKDNMT3L
SCHEMBL28845651 0.81 GPR52 (0.54) DNMT1DNMT3AGAKGSK3AGSK3B

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
CN-114773267-B [ (7-trifluoromethyl quinoline-4-yl) amino ] benzamide compound and preparation and application thereof 沈阳药科大学 2024-01-26 CN disclosed
CN-114773267-A [ (7-trifluoromethyl quinoline-4-yl) amino ] benzamide compound and preparation and application thereof 沈阳药科大学 2022-07-22 CN disclosed