SCHEMBL28604164

SCHEMBL28604164

Cc1ccc(NC(=O)NN)cc1C.O=C1CC(c2ccc(Br)cc2)Nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
KDR P35968 3/20 0.41
ROCK2 O75116 2/20 0.41
MAP4K4 O95819 2/20 0.41
LCK P06239 2/20 0.41
RET P07949 2/20 0.41
RPS6KB1 P23443 2/20 0.41
BLK P51451 2/20 0.41
STK3 Q13188 2/20 0.41
ROCK1 Q13464 2/20 0.41
TAOK1 Q7L7X3 2/20 0.41
HIPK4 Q8NE63 2/20 0.41
AURKB Q96GD4 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
MAP4K5 Q9Y4K4 2/20 0.41
PIM1 P11309 1/20 0.41
GSK3B P49841 1/20 0.41
PRKCD Q05655 1/20 0.41
PRKAA1 Q13131 1/20 0.41
NTRK3 Q16288 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
SCHEMBL28919461 0.90 MAOA (0.42) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL28603992 0.89 KDR (0.39) KDRMEN1KMT2ANPC1RAB9A
SCHEMBL28601605 0.89 KDR (0.39) KDRMEN1KMT2ANPC1RAB9A
Aza-Flavanone SCHEMBL28606333 0.88 MAOA (0.45) MAPTSMN1; SMN2ALDH1A1CCKBR
SCHEMBL28614837 0.85 KDR (0.40) KDRMEN1KMT2ANPC1RAB9A
SCHEMBL28603909 0.85 KDR (0.40) KDRMEN1KMT2ANPC1RAB9A
SCHEMBL28919462 0.85 FPR1 (0.48) MEN1KMT2ARAB9ATP53POLB
SCHEMBL28601602 0.85 FPR1 (0.48) MEN1KMT2ARAB9ATP53POLB
SCHEMBL28606031 0.85 MAPT (0.40) GAAMEN1KMT2ACYP3A4NPC1
SCHEMBL28608104 0.84 POLB (0.39) GAAMEN1KMT2AMAPTHTT

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-108558756-B 2-aryl-2, 3-dihydro-4 (1H) -quinolinone semicarbazone compound and application thereof 沈阳药科大学 2021-08-03 CN claimed
CN-108558756-B 2-aryl-2, 3-dihydro-4 (1H) -quinolinone semicarbazone compound and application thereof 沈阳药科大学 2021-08-03 CN disclosed