SCHEMBL29968291

SCHEMBL29968291

C1=C(c2ccc(-c3cccc4[nH]nc(NCc5cccc(-c6nnn[nH]6)c5)c34)cc2)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 3/20 0.35
▸ HTR1A P08908 3/20 0.34
▸ MAPK10 P53779 4/20 0.33
▸ MAPK9 P45984 2/20 0.33
▸ FLT4 P35916 2/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ CDKL3 Q8IVW4 1/20 0.33
▸ TNIK Q9UKE5 1/20 0.33
▸ GRM4 Q14833 1/20 0.32
▸ CDC7 O00311 4/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ MAP2K4 P45985 1/20 0.31
▸ KDR P35968 3/20 0.31
▸ FLT3 P36888 3/20 0.31
▸ KIT P10721 2/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ PLK4 O00444 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ ROCK2 O75116 1/20 0.30

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
SCHEMBL29967816 0.85 PRMT6 (0.39) MAPK8HTR1AMAPK10MAPK9FLT4
SCHEMBL29967591 0.84 MAPK8 (0.41) MAPK8MAPK10MAPK9FLT4PRKD3
SCHEMBL29969053 0.83 PIM1 (0.41) GRM4CSF1RDYRK1A
SCHEMBL29968061 0.83 MAPK8 (0.35) MAPK8HTR1AMAPK10MAPK9FLT4
SCHEMBL29968294 0.82 ROCK2 (0.38) MAPK8HTR1AMAPK10MAPK9FLT4
SCHEMBL29967968 0.80 MAPK10 (0.44) MAPK8MAPK10MAPK9FLT4PRKD3
SCHEMBL29969011 0.78 MAPK10 (0.36) MAPK8MAPK10MAPK9FLT4PRKD3
SCHEMBL29967878 0.78 MAPK10 (0.45) MAPK8MAPK10MAPK9FLT4PRKD3
SCHEMBL28871262 0.78 MAPK10 (0.45) MAPK8MAPK10MAPK9FLT4PRKD3
SCHEMBL29967707 0.77 MAPK10 (0.43) MAPK8MAPK10MAPK9FLT4CDC7

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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