SCHEMBL29009558

SCHEMBL29009558

C=CS(=O)(=O)Nc1ccc2[nH]nc(-c3nc4ccc(C5CNCCO5)cc4[nH]3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.48
MAPK1 P28482 1/20 0.48
PDPK1 O15530 5/20 0.42
FLT3 P36888 4/20 0.41

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
SCHEMBL29009504 0.83 PDPK1 (0.41) PDPK1
SCHEMBL29009505 0.78 MAPK1 (0.59) MAPK3MAPK1PDPK1FLT3
SCHEMBL29009554 0.78 PDPK1 (0.66) PDPK1FLT3
SCHEMBL30382123 0.78 PDPK1 (0.66) PDPK1FLT3
SCHEMBL29009514 0.77
SCHEMBL30382435 0.74 FGFR1 (0.62) MAPK3MAPK1PDPK1FLT3
SCHEMBL29009498 0.74 FGFR1 (0.62) MAPK3MAPK1PDPK1FLT3
SCHEMBL29009559 0.72 MAPK1 (0.47) MAPK3MAPK1PDPK1
SCHEMBL29009533 0.71 DRD2 (0.40) PDPK1
SCHEMBL30382584 0.67 CHEK1 (0.45) MAPK3MAPK1PDPK1FLT3

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