SCHEMBL29009490

SCHEMBL29009490

C=CS(=O)(=O)Nc1cnc2[nH]nc(-c3nc4ccc(F)cc4[nH]3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.45
MAPK1 P28482 2/20 0.43
MAPK3 P27361 1/20 0.43
FLT3 P36888 1/20 0.42
FGFR1 P11362 2/20 0.40
PDPK1 O15530 1/20 0.39
MET P08581 1/20 0.39
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
RET P07949 1/20 0.38
METAP2 P50579 2/20 0.38
METAP1 P53582 2/20 0.38
CBFB Q13951 1/20 0.38
CYP11B1 P15538 1/20 0.37
MAP2K4 P45985 1/20 0.37
SYK P43405 1/20 0.36
ITK Q08881 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
SCHEMBL30382584 1.00 CHEK1 (0.45) CHEK1MAPK1MAPK3FLT3FGFR1
SCHEMBL29009505 0.87 MAPK1 (0.59) CHEK1MAPK1MAPK3FLT3FGFR1
SCHEMBL30382429 0.83 FGFR1 (0.55) FLT3FGFR1PDPK1FLT1
SCHEMBL29009538 0.83 FGFR1 (0.55) FLT3FGFR1PDPK1FLT1
SCHEMBL30382361 0.82 FGFR1 (0.56) FLT3FGFR1PDPK1FLT1KDR
SCHEMBL29009524 0.82 FGFR1 (0.56) FLT3FGFR1PDPK1FLT1KDR
SCHEMBL29009517 0.82 CHEK1 (0.52) CHEK1FLT3FGFR1PDPK1
SCHEMBL30382144 0.82 CHEK1 (0.52) CHEK1FLT3FGFR1PDPK1
SCHEMBL30382124 0.81 ATR (0.46) CHEK1FLT3FGFR1PDPK1FLT1
SCHEMBL29009494 0.81 ATR (0.46) CHEK1FLT3FGFR1PDPK1FLT1

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