SCHEMBL25567247

SCHEMBL25567247

CC(C)(C)c1cc(NC(=O)Nc2ccc3c(c2)NC(=O)C3)on1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.59
▸ CSF1R P07333 1/20 0.54
▸ RAF1 P04049 2/20 0.53
▸ NTRK1 P04629 3/20 0.52
▸ NTRK3 Q16288 1/20 0.52
▸ NTRK2 Q16620 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ RET P07949 1/20 0.47
▸ EPHB2 P29323 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ FLT3 P36888 2/20 0.46
▸ BRAF P15056 2/20 0.44
▸ NEK7 Q8TDX7 2/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ HTR2C P28335 1/20 0.40

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
SCHEMBL25566088 0.89 MAPK14 (0.51) MAPK14CSF1RRAF1NTRK1NTRK3
SCHEMBL25567264 0.88 MAPK14 (0.45) MAPK14CSF1RRAF1NTRK1NTRK3
SCHEMBL25564759 0.82 MAPK14 (0.58) MAPK14CSF1RRAF1FLT3MAPK13
SCHEMBL25567411 0.81 ALDH1A1 (0.49) MAPK14CSF1RRAF1NTRK1NTRK3
SCHEMBL25566546 0.79 TRPV1 (0.57) CSF1RTRPV1
SCHEMBL25566191 0.79 MAPK14 (0.58) MAPK14CSF1RRAF1MAPK13
SCHEMBL25565993 0.78 ALDH1A1 (0.58) ALDH1A1KDRFLT3
SCHEMBL25566469 0.76 CMA1 (0.45) MAPK14CSF1RRAF1KDRTRPV1
SCHEMBL13239491 0.75 MAPK14 (0.78) MAPK14CSF1RRAF1NTRK1NTRK3
SCHEMBL13234417 0.75 MAPK14 (0.83) MAPK14CSF1RRAF1NTRK1NTRK3

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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