SCHEMBL29009494

SCHEMBL29009494

C=CS(=O)(=O)Nc1cnc2[nH]nc(-c3nc4ccc(C(=O)N5CCN(C)CC5)cc4[nH]3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.46
FGFR1 P11362 5/20 0.46
KDR P35968 3/20 0.46
PDGFRB P09619 1/20 0.46
FGFR2 P21802 2/20 0.45
FGFR3 P22607 2/20 0.45
FLT3 P36888 5/20 0.42
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
FLT1 P17948 2/20 0.40
PDPK1 O15530 1/20 0.40
HRH4 Q9H3N8 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CHEK1 O14757 1/20 0.38
MGLL Q99685 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
SCHEMBL30382124 1.00 ATR (0.46) ATRFGFR1KDRPDGFRBFGFR2
SCHEMBL29009528 0.87 ATR (0.47) ATRFGFR1KDRPDGFRBFGFR2
SCHEMBL30382066 0.87 ATR (0.47) ATRFGFR1KDRPDGFRBFGFR2
SCHEMBL29009524 0.86 FGFR1 (0.56) FGFR1KDRPDGFRBFGFR2FGFR3
SCHEMBL30382361 0.86 FGFR1 (0.56) FGFR1KDRPDGFRBFGFR2FGFR3
SCHEMBL31006257 0.83 FGFR1 (0.56) ATRFGFR1KDRPDGFRBFGFR2
SCHEMBL30382459 0.81 FGFR1 (0.46) ATRFGFR1KDRPDGFRBFGFR2
SCHEMBL29009492 0.81 FGFR1 (0.46) ATRFGFR1KDRPDGFRBFGFR2
SCHEMBL30382584 0.81 CHEK1 (0.45) FGFR1KDRFLT3FLT1PDPK1
SCHEMBL29009490 0.81 CHEK1 (0.45) FGFR1KDRFLT3FLT1PDPK1

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