SCHEMBL30881752

SCHEMBL30881752

NC(=O)c1ccc(F)cc1-c1n[nH]c2c(Cl)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ PLK3 Q9H4B4 1/20 0.43
▸ GRM2 Q14416 2/20 0.40
▸ RPS6KB1 P23443 2/20 0.39
▸ MAP2K4 P45985 6/20 0.39
▸ TTK P33981 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MAP2K7 O14733 1/20 0.37
▸ MAPK10 P53779 2/20 0.36
▸ MAPK14 Q16539 2/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPKAPK2 P49137 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ ACVR2B Q13705 1/20 0.36
▸ MYLK Q15746 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ PRKD2 Q9BZL6 1/20 0.36

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
SCHEMBL30881662 0.84 RPS6KB1 (0.38) RPS6KB1MAP2K4MAP2K7MAPK10MAPK14
SCHEMBL30881741 0.84 KDR (0.40) RPS6KB1MAP2K4KMT2AMAPK10MAPK14
SCHEMBL30881816 0.82 PDK2 (0.37) RPS6KB1MAP2K4MAPK10MAPK14PRKD3
SCHEMBL30881767 0.82 RPS6KB1 (0.36) GRM2RPS6KB1MAP2K4MAP2K7MAPK10
SCHEMBL30881810 0.80 HPGD (0.36) MAP2K4BTKMAPK1MAPK6
SCHEMBL30881772 0.76 SCN9A (0.36) RPS6KB1BTKIKBKB
SCHEMBL30881768 0.74 IKBKB (0.37) BTKIKBKB
SCHEMBL30881813 0.73 BTK (0.37) BTK
SCHEMBL30881889 0.71 IKBKB (0.38) RPS6KB1MAP2K4MAPKAPK2BTKIKBKB
SCHEMBL30881673 0.70 NTRK1 (0.34) GRM2RPS6KB1MAP2K4MAPKAPK2BTK

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-118026880-A Aryl amide compound, pharmaceutical composition containing same and application thereof 华东师范大学 2024-05-14 — — CN disclosed
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