SCHEMBL28871262

SCHEMBL28871262

O=C(O)c1cccc(CNc2n[nH]c3cccc(-c4ccc(C5=CCCC5)cc4)c23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 13/20 0.45
▸ FLT4 P35916 2/20 0.45
▸ MAPK9 P45984 2/20 0.45
▸ PRKD3 O94806 1/20 0.45
▸ CDKL3 Q8IVW4 1/20 0.45
▸ TNIK Q9UKE5 1/20 0.45
▸ MAPK8 P45983 9/20 0.43
▸ FLT3 P36888 3/20 0.39
▸ KIT P10721 2/20 0.39
▸ KDR P35968 2/20 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

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
SCHEMBL29967878 1.00 MAPK10 (0.45) MAPK10FLT4MAPK9PRKD3CDKL3
SCHEMBL29967968 0.97 MAPK10 (0.44) MAPK10FLT4MAPK9PRKD3CDKL3
SCHEMBL29967707 0.89 MAPK10 (0.43) MAPK10FLT4MAPK9MAPK8FLT3
SCHEMBL28871315 0.86 MAPK1 (0.48) MAPK10FLT4MAPK9PRKD3CDKL3
SCHEMBL29967591 0.84 MAPK8 (0.41) MAPK10FLT4MAPK9PRKD3MAPK8
SCHEMBL29967815 0.84 SMN1; SMN2 (0.40) FLT4FLT3KITKDRCDC7
SCHEMBL28871284 0.83 MRGPRX4 (0.46) MAPK10FLT4MAPK9PRKD3CDKL3
SCHEMBL29967744 0.82 EGFR (0.46) FLT4MAPK9PRKD3FLT3KIT
SCHEMBL29968183 0.82 NR1H4 (0.53) MAPK10FLT4MAPK9PRKD3CDKL3
SCHEMBL28871255 0.82 MAPK10 (0.54) MAPK10FLT4MAPK9PRKD3CDKL3

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-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
Send feedback