SCHEMBL25567126

SCHEMBL25567126

CC(C)(C)c1cc(NC(=O)CC(=O)Nc2ccc3c(c2)NC(O)C3)no1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.49
▸ FLT3 P36888 5/20 0.47
▸ MAPK14 Q16539 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RAF1 P04049 3/20 0.43
▸ HPGD P15428 1/20 0.42
▸ RET P07949 1/20 0.42
▸ KDR P35968 3/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 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
SCHEMBL25567190 0.81 EGFR (0.49) EGFRFLT3MAPK14MEN1NPC1
SCHEMBL25567124 0.74 EGFR (0.46) EGFRFLT3MAPK14MEN1NPC1
SCHEMBL25567722 0.70 MAPK14 (0.46) FLT3MAPK14MEN1NPC1RAB9A
SCHEMBL25564759 0.70 MAPK14 (0.58) FLT3MAPK14MEN1NPC1RAB9A
SCHEMBL14422913 0.70 EGFR (0.72) EGFRFLT3MAPK14MEN1NPC1
SCHEMBL4102589 0.69 EGFR (0.74) EGFRFLT3MAPK14MEN1NPC1
SCHEMBL25567562 0.68 HPGD (0.47) FLT3MAPK14MEN1NPC1RAB9A
SCHEMBL14422912 0.68 EGFR (0.68) EGFRFLT3MAPK14MEN1NPC1
SCHEMBL4451956 0.67 EGFR (1.00) EGFRFLT3MAPK14MEN1NPC1
SCHEMBL4104287 0.66 EGFR (0.70) EGFRFLT3MAPK14MEN1NPC1

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
WO-2023078207-A1 6-POSITION-SUBSTITUTED INDOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 南京中医药大学 2023-05-11 — — WO disclosed
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