SCHEMBL29980339

SCHEMBL29980339

O=C(NC(C(F)(F)F)C(F)(F)F)c1c[nH]c2ncc(F)cc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 2/20 0.35
CLK1 P49759 2/20 0.34
DYRK1A Q13627 2/20 0.34
JAK2 O60674 4/20 0.33
JAK1 P23458 4/20 0.33
JAK3 P52333 4/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
HSD11B1 P28845 1/20 0.33
FLT3 P36888 1/20 0.32

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
SCHEMBL29980191 0.86 ULK1 (0.41) ALDH1A1KMT2AADORA2AADORA1DYRK1A
SCHEMBL29980016 0.85 GSK3B (0.38) ALDH1A1KMT2AKDM4EADORA2AADORA1
SCHEMBL28904865 0.84 ALDH1A1 (0.37) ALDH1A1KMT2AKDM4EADORA2AADORA1
SCHEMBL29979783 0.79 KDM4E (0.56) ALDH1A1KMT2AKDM4EGSK3AGSK3B
SCHEMBL9149346 0.79 KDM4E (0.56) ALDH1A1KMT2AKDM4EGSK3AGSK3B
Hydrochloric Acid SCHEMBL27672178 0.78 KDM4E (0.55) ALDH1A1KMT2AKDM4EGSK3AGSK3B
SCHEMBL28904824 0.78 KDM4E (0.41) ALDH1A1KMT2AKDM4ECLK1DYRK1A
SCHEMBL29457338 0.78 KDM4E (0.41) ALDH1A1KMT2AKDM4ECLK1DYRK1A
SCHEMBL29980316 0.77 SYK (0.37) ALDH1A1KMT2AADORA2AADORA1
SCHEMBL2814713 0.72 AXL (0.47) KDM4ECLK1DYRK1AGSK3AGSK3B

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