SCHEMBL25567124

SCHEMBL25567124

C=C(CC(=O)Nc1cc(C(C)(C)C)on1)Nc1ccc2c(c1)NC(=C)C2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.46
▸ HPGD P15428 1/20 0.44
▸ MAPK14 Q16539 2/20 0.42
▸ CSF1R P07333 9/20 0.42
▸ FLT3 P36888 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RET P07949 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 0.82 EGFR (0.49) EGFRHPGDMAPK14CSF1RFLT3
SCHEMBL25567722 0.76 MAPK14 (0.46) HPGDMAPK14CSF1RFLT3MEN1
SCHEMBL25564759 0.76 MAPK14 (0.58) MAPK14CSF1RFLT3MEN1NPC1
SCHEMBL25567126 0.74 EGFR (0.49) EGFRHPGDMAPK14FLT3MEN1
SCHEMBL25567562 0.73 HPGD (0.47) HPGDMAPK14CSF1RFLT3MEN1
SCHEMBL25565785 0.72 RAF1 (0.49) HPGDMAPK14CSF1RFLT3MEN1
SCHEMBL25567184 0.70 CSF1R (0.54) CSF1R
SCHEMBL14422913 0.67 EGFR (0.72) EGFRHPGDMAPK14FLT3MEN1
SCHEMBL4104287 0.66 EGFR (0.70) EGFRHPGDMAPK14FLT3MEN1
SCHEMBL4102589 0.66 EGFR (0.74) EGFRHPGDMAPK14FLT3MEN1

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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