SCHEMBL30881816

SCHEMBL30881816

NC(=O)c1ccc(F)cc1-c1n[nH]c2c(C3CC3)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ RPS6KB1 P23443 3/20 0.36
▸ MAP2K4 P45985 1/20 0.36
▸ JAK2 O60674 5/20 0.36
▸ RBP4 P02753 2/20 0.35
▸ RORC P51449 1/20 0.35
▸ CAMKK2 Q96RR4 2/20 0.35
▸ PRKD3 O94806 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ ACVR2B Q13705 1/20 0.34
▸ MYLK Q15746 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ PRKD2 Q9BZL6 1/20 0.34
▸ NLK Q9UBE8 1/20 0.34

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
SCHEMBL30881768 0.88 IKBKB (0.37) IKBKBJAK2RBP4CAMKK2BTK
SCHEMBL30881889 0.85 IKBKB (0.38) IKBKBRPS6KB1MAP2K4JAK2RBP4
SCHEMBL30881772 0.85 SCN9A (0.36) IKBKBRPS6KB1JAK2RBP4BTK
SCHEMBL30881752 0.82 CHEK1 (0.43) IKBKBRPS6KB1MAP2K4PRKD3MAPK9
SCHEMBL30881813 0.81 BTK (0.37) JAK2BTKCCNT1CDK9
SCHEMBL30881810 0.81 HPGD (0.36) MAP2K4JAK2BTKCCNT1CDK9
SCHEMBL30881921 0.80 PDK2 (0.35) PDK2PDK4IKBKBRPS6KB1RORC
SCHEMBL30881662 0.80 RPS6KB1 (0.38) RPS6KB1MAP2K4JAK2PRKD3MAPK9
SCHEMBL30881741 0.80 KDR (0.40) RPS6KB1MAP2K4JAK2PRKD3MAPK9
SCHEMBL30881775 0.79 SSTR4 (0.38) IKBKBRPS6KB1RORCCAMKK2PRKD3

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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