SCHEMBL29969002

SCHEMBL29969002

NC1(c2cccc(CNc3n[nH]c4cccc(-c5ccc(C6=CCCCC6)cc5)c34)c2)CNC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 4/20 0.34
▸ MAPK10 P53779 4/20 0.34
▸ FLT4 P35916 4/20 0.34
▸ MAPK9 P45984 3/20 0.34
▸ PRKD3 O94806 3/20 0.34
▸ CDKL3 Q8IVW4 1/20 0.34
▸ TNIK Q9UKE5 1/20 0.34
▸ KDR P35968 11/20 0.32
▸ FLT3 P36888 6/20 0.32
▸ KIT P10721 3/20 0.32
▸ PRKACA P17612 5/20 0.32
▸ ROCK1 Q13464 5/20 0.32
▸ CSF1R P07333 4/20 0.32
▸ PLK4 O00444 4/20 0.32
▸ AURKA O14965 4/20 0.32
▸ NTRK1 P04629 4/20 0.32
▸ CDK1 P06493 4/20 0.32
▸ FLT1 P17948 4/20 0.32
▸ RPS6KB1 P23443 4/20 0.32
▸ CDK2 P24941 4/20 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
SCHEMBL29968238 0.91 MAPK8 (0.34) MAPK8MAPK10FLT4MAPK9PRKD3
SCHEMBL29969011 0.90 MAPK10 (0.36) MAPK8MAPK10FLT4MAPK9PRKD3
SCHEMBL29969072 0.84 MAPK10 (0.35) MAPK8MAPK10FLT4MAPK9PRKD3
SCHEMBL29967591 0.83 MAPK8 (0.41) MAPK8MAPK10FLT4MAPK9PRKD3
SCHEMBL29967816 0.80 PRMT6 (0.39) MAPK8MAPK10FLT4MAPK9PRKD3
SCHEMBL29967968 0.80 MAPK10 (0.44) MAPK8MAPK10FLT4MAPK9PRKD3
SCHEMBL29968061 0.79 MAPK8 (0.35) MAPK8MAPK10FLT4MAPK9PRKD3
SCHEMBL29969053 0.79 PIM1 (0.41) CSF1RGRM4DYRK1AGSK3BCLK4
SCHEMBL29968294 0.78 ROCK2 (0.38) MAPK8MAPK10FLT4MAPK9PRKD3
SCHEMBL29968291 0.78 MAPK8 (0.35) MAPK8MAPK10FLT4MAPK9PRKD3

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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