SCHEMBL29969072

SCHEMBL29969072

OC1(c2cccc(CNc3n[nH]c4cccc(-c5ccc(C6=CCCCC6)cc5)c34)c2)COC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 7/20 0.35
▸ FLT4 P35916 3/20 0.35
▸ MAPK9 P45984 2/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ CDKL3 Q8IVW4 1/20 0.35
▸ TNIK Q9UKE5 1/20 0.35
▸ MAPK8 P45983 7/20 0.34
▸ KDR P35968 6/20 0.32
▸ FLT3 P36888 3/20 0.32
▸ PLK4 O00444 2/20 0.32
▸ AURKA O14965 2/20 0.32
▸ ROCK2 O75116 2/20 0.32
▸ NTRK1 P04629 2/20 0.32
▸ CDK1 P06493 2/20 0.32
▸ CSF1R P07333 2/20 0.32
▸ PRKACA P17612 2/20 0.32
▸ FLT1 P17948 2/20 0.32
▸ RPS6KB1 P23443 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ MARK3 P27448 2/20 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
SCHEMBL29969011 0.91 MAPK10 (0.36) MAPK10FLT4MAPK9PRKD3CDKL3
SCHEMBL29968238 0.90 MAPK8 (0.34) MAPK10FLT4MAPK9PRKD3CDKL3
SCHEMBL29969002 0.84 MAPK8 (0.34) MAPK10FLT4MAPK9PRKD3CDKL3
SCHEMBL29967591 0.82 MAPK8 (0.41) MAPK10FLT4MAPK9PRKD3MAPK8
SCHEMBL29967968 0.81 MAPK10 (0.44) MAPK10FLT4MAPK9PRKD3CDKL3
SCHEMBL29967816 0.80 PRMT6 (0.39) MAPK10FLT4MAPK9PRKD3CDKL3
SCHEMBL29968294 0.79 ROCK2 (0.38) MAPK10FLT4MAPK9PRKD3CDKL3
SCHEMBL29968061 0.78 MAPK8 (0.35) MAPK10FLT4MAPK9PRKD3CDKL3
SCHEMBL29967878 0.78 MAPK10 (0.45) MAPK10FLT4MAPK9PRKD3CDKL3
SCHEMBL29967707 0.78 MAPK10 (0.43) MAPK10FLT4MAPK9MAPK8KDR

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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