SCHEMBL29009489

SCHEMBL29009489

C=CC(=O)Nc1cccc2[nH]nc(-c3nc4ccc(F)cc4[nH]3)c12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.50
CHEK1 O14757 3/20 0.47
FGFR1 P11362 1/20 0.45
FLT1 P17948 1/20 0.45
FLT3 P36888 1/20 0.44
MAP2K7 O14733 1/20 0.42
AURKA O14965 1/20 0.42
ITK Q08881 1/20 0.40
AMY1A P0DUB6 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
FGFR4 P22455 2/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
CBFB Q13951 1/20 0.38

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
SCHEMBL30382687 0.86 PDPK1 (0.47) PDPK1CHEK1FGFR1FLT1FLT3
SCHEMBL29009543 0.86 PDPK1 (0.47) PDPK1CHEK1FGFR1FLT1FLT3
SCHEMBL29009523 0.83 PDPK1 (0.49) PDPK1CHEK1FGFR1FLT1FLT3
SCHEMBL30382380 0.83 PDPK1 (0.49) PDPK1CHEK1FGFR1FLT1FLT3
SCHEMBL30382244 0.82 PDPK1 (0.42) PDPK1CHEK1FGFR1FLT1FLT3
SCHEMBL29009491 0.82 PDPK1 (0.42) PDPK1CHEK1FGFR1FLT1FLT3
SCHEMBL29009547 0.82 PDPK1 (0.72) PDPK1FGFR1FLT1FLT3
SCHEMBL29009542 0.81 PDPK1 (0.60) PDPK1CHEK1FGFR1FLT1FLT3
SCHEMBL30381750 0.81 PDPK1 (0.60) PDPK1CHEK1FGFR1FLT1FLT3
SCHEMBL29009540 0.79 PDPK1 (0.59) PDPK1CHEK1FGFR1FLT3MAP2K7

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-116217551-A Substituted indazole or azaindazole compounds and application thereof 河南中医药大学 2023-06-06 CN claimed
CN-116217551-A Substituted indazole or azaindazole compounds and application thereof 河南中医药大学 2023-06-06 CN disclosed