SCHEMBL29967968

SCHEMBL29967968

O=C(O)c1cccc(CNc2n[nH]c3cccc(-c4ccc(C5=CCCCC5)cc4)c23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 13/20 0.44
▸ MAPK9 P45984 2/20 0.44
▸ FLT4 P35916 2/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ CDKL3 Q8IVW4 1/20 0.44
▸ TNIK Q9UKE5 1/20 0.44
▸ MAPK8 P45983 8/20 0.42
▸ FLT3 P36888 2/20 0.39
▸ KIT P10721 1/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ RPS6KA5 O75582 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ MET P08581 1/20 0.39

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
SCHEMBL28871262 0.97 MAPK10 (0.45) MAPK10MAPK9FLT4PRKD3CDKL3
SCHEMBL29967878 0.97 MAPK10 (0.45) MAPK10MAPK9FLT4PRKD3CDKL3
SCHEMBL29967707 0.92 MAPK10 (0.43) MAPK10MAPK9FLT4MAPK8FLT3
SCHEMBL29967591 0.88 MAPK8 (0.41) MAPK10MAPK9FLT4PRKD3MAPK8
SCHEMBL29967815 0.87 SMN1; SMN2 (0.40) FLT4FLT3KITCDC7PLK4
SCHEMBL29967914 0.85 AGTR2 (0.40) MAPK10MAPK9FLT4MAPK8FLT3
SCHEMBL28871315 0.85 MAPK1 (0.48) MAPK10MAPK9FLT4PRKD3CDKL3
SCHEMBL29967744 0.85 EGFR (0.46) MAPK9FLT4PRKD3FLT3KIT
SCHEMBL29967841 0.84 KDR (0.40) FLT4FLT3KITPLK4AURKA
SCHEMBL29967816 0.83 PRMT6 (0.39) MAPK10MAPK9FLT4PRKD3CDKL3

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-115260165-B Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2024-08-06 — — CN disclosed
CN-115260165-A Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2022-11-01 — — CN disclosed
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