SCHEMBL30040826

SCHEMBL30040826

CN(C)c1ccc(Cc2c(-c3ccc(C(F)(F)F)cc3)nc3ccccn23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MAPT P10636 4/20 0.47
▸ TP53 P04637 2/20 0.47
▸ GAA P10253 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NR1I3 Q14994 1/20 0.44
▸ NTRK1 P04629 1/20 0.42
▸ GABRA1 P14867 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ RAD51 Q06609 1/20 0.40

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
SCHEMBL30039276 0.88 ALDH1A1 (0.51) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL30039667 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL30038776 0.86 MAPT (0.61) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL30040119 0.85 KDM4E (0.67) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL30039601 0.85 MAPT (0.59) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL30040616 0.83 NPC1 (0.55) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL30040080 0.82 RAB9A (0.47) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL30040189 0.78 KDM4E (0.51) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL30039534 0.78 NR1H4 (0.57) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL30039938 0.77 KCNK3 (0.51) SMN1; SMN2NPC1RAB9AKDM4EPOLB

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-115261896-B Synthesis method of 4' -alkylamino benzyl-3-imidazo [1,2-a ] pyridine derivative 深圳职业技术学院 2024-08-30 — — CN disclosed
CN-115261896-A Synthesis method of 4' -alkylaminobenzyl-3-imidazo [1,2-a ] pyridine derivative 深圳职业技术学院 2022-11-01 — — CN disclosed
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