SCHEMBL28540205

SCHEMBL28540205

CCN(CC)CC(=O)Nc1c[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 17/20 0.85
KDR P35968 5/20 0.68
CSF1R P07333 3/20 0.68
PDGFRB P09619 3/20 0.68
PDGFRA P16234 2/20 0.68
FLT1 P17948 2/20 0.68
PRKAA1 Q13131 4/20 0.56
PRKAA2 P54646 3/20 0.56
PLK4 O00444 2/20 0.56
DCLK1 O15075 2/20 0.56
PDPK1 O15530 2/20 0.56
DAPK3 O43293 2/20 0.56
ROCK2 O75116 2/20 0.56
RPS6KA5 O75582 2/20 0.56
RPS6KA4 O75676 2/20 0.56
MAP4K4 O95819 2/20 0.56
CHEK2 O96017 2/20 0.56
NTRK1 P04629 2/20 0.56
INSR P06213 2/20 0.56
LCK P06239 2/20 0.56

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
SCHEMBL28523144 0.92 FLT3 (1.00) FLT3KDRCSF1RPDGFRBPDGFRA
SCHEMBL28535279 0.91 FLT3 (1.00) FLT3KDRCSF1RPDGFRBPDGFRA
SCHEMBL28527661 0.85 FLT3 (1.00) FLT3KDRCSF1RPDGFRBPDGFRA
SCHEMBL28523147 0.85 FLT3 (1.00) FLT3KDRCSF1RPDGFRBPDGFRA
SCHEMBL30522734 0.85 FLT3 (0.75) FLT3KDRCSF1RPDGFRBPDGFRA
SCHEMBL30237472 0.84 FLT3 (1.00) FLT3KDRCSF1RPDGFRBPDGFRA
SCHEMBL28907830 0.84 FLT3 (1.00) FLT3KDRCSF1RPDGFRBPDGFRA
Hydrochloric Acid SCHEMBL30522741 0.84 FLT3 (0.74) FLT3KDRCSF1RPDGFRBPDGFRA
SCHEMBL14854691 0.84 KDR (0.68) FLT3KDRCSF1RPDGFRBPDGFRA
SCHEMBL28524712 0.82 FLT3 (1.00) FLT3KDRCSF1RPDGFRBPDGFRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321568-A 4-methylpyrrole substituted indolone derivative, preparation method and medical application thereof 南京中医药大学 2021-02-05 CN claimed
CN-112321568-B 4-methylpyrrole substituted indolone derivative, preparation method and medical application thereof 南京中医药大学 2023-02-17 CN disclosed
CN-112321568-A 4-methylpyrrole substituted indolone derivative, preparation method and medical application thereof 南京中医药大学 2021-02-05 CN disclosed